2-((3-(1-Carbamoyl-7-(2-methoxyethoxy)-9H-pyrido[3,4-b]indol-4-yl)-2-methylphenylamino)methyl)-5-chlorobenzoic acid
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Basic information
- Standard SMILES
COCCOc1ccc2c(c1)[nH]c1c(C(N)=O)ncc(-c3cccc(NCc4ccc(Cl)cc4C(=O)O)c3C)c12- InChIKey
LIUMSSKCULHCQX-UHFFFAOYSA-N- Molecular formula
- C30H27ClN4O5
- Average molar mass
- 559 g/mol
- Monoisotopic mass
- 558.1669977
Names & identifiers
- Preferred name
- 2-((3-(1-Carbamoyl-7-(2-methoxyethoxy)-9H-pyrido[3,4-b]indol-4-yl)-2-methylphenylamino)methyl)-5-chlorobenzoic acid
- IUPAC
- 2-[[3-[1-carbamoyl-7-(2-methoxyethoxy)-9H-pyrido[3,4-b]indol-4-yl]-2-methylanilino]methyl]-5-chlorobenzoic acid
Names & synonyms
SCHEMBL9983958LIUMSSKCULHCQX-UHFFFAOYSA-N2-((3-(1-Carbamoyl-7-(2-methoxyethoxy)-9H-pyrido[3,4-b]indol-4-yl)-2-methylphenylamino)methyl)-5-chlorobenzoic acid
Database identifiers
- PubChem CID
- 67995000
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 881
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Related reactions
2 records
Compound notes
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