Methyl 1-(2-hydroxyethyl)-2-methoxy-4,9-dioxo-4,9-dihydro-1H-benzo(f)indole-3-carboxylate

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Basic information

CAS: 74014-09-8
Standard SMILES: COC(=O)c1c2c(n(CCO)c1OC)C(=O)c1ccccc1C2=O
InChIKey: DOLDDUXZZLTLLO-UHFFFAOYSA-N
Molecular formula: C17H15NO6
Average molar mass: 329.3 g/mol
Monoisotopic mass: 329.0899372

Names & identifiers

Preferred name: Methyl 1-(2-hydroxyethyl)-2-methoxy-4,9-dioxo-4,9-dihydro-1H-benzo(f)indole-3-carboxylate
IUPAC: methyl 1-(2-hydroxyethyl)-2-methoxy-4,9-dioxobenzo[f]indole-3-carboxylate

Names & synonyms

74014-09-8Methyl 1-(2-hydroxyethyl)-2-methoxy-4,9-dioxo-4,9-dihydro-1H-benzo(f)indole-3-carboxylateNSC345734304G68G55RNSC 345734UNII-304G68G55RNSC-345734Methyl 1-(2-hydroxyethyl)-2-methoxy-4,9-dioxo-4,9-dihydro-1H-benzo[f]indole-3-carboxylateDTXSID30224818methyl 1-(2-hydroxyethyl)-2-methoxy-4,9-dioxo-benzo[f]indole-3-carboxylate1H-BENZ(F)INDOLE-3-CARBOXYLIC ACID, 4,9-DIHYDRO-1-(2-HYDROXYETHYL)-2-METHOXY-4,9-DIOXO-, METHYL ESTER

Database identifiers

CAS: 74014-09-8
PubChem CID: 335586
DTXSID: DTXSID30224818
UNII: 304G68G55R

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 94.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 535

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Compound notes

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