Malonic acid, ((1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)acetyl)-, dimethyl ester

HCID 42590

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Basic information

CAS: 57846-35-2
Standard SMILES: COC(=O)C(C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(=O)OC
InChIKey: BZTJIEPOQQSJDS-UHFFFAOYSA-N
Molecular formula: C24H22ClNO7
Average molar mass: 471.9 g/mol
Monoisotopic mass: 471.1084797

Names & identifiers

Preferred name: Malonic acid, ((1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)acetyl)-, dimethyl ester
IUPAC: dimethyl 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanedioate
English name: [[1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]malonic acid dimethyl ester
Molecular formula: C24H22ClNO7
Molecular weight: 471.89

Names & synonyms

BRN 046489757846-35-2Malonic acid, ((1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)acetyl)-, dimethyl esterDTXSID002065605-22-07-00520 (Beilstein Handbook Reference)((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)acetyl)malonic acid dimethyl ester2-(1-p-Clorobenzoil-2-metil-5-metossi-3-indolilacetil)-malonato dimetilico [Italian]2-(1-p-Clorobenzoil-2-metil-5-metossi-3-indolilacetil)-malonato dimetilicoRefChem:351828DTXCID30129051dimethyl {[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}propanedioate[[1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]malonic acid dimethyl ester

Show more names

Propanedioic acid, 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]-, 1,3-dimethyl ester

Database identifiers

CAS: 57846-35-2
PubChem CID: 42590
DTXSID: DTXSID00206560
Nikkaji: J147.605J

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 101 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 33
Formal charge: 0
Complexity: 735

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