[3-[(E)-2-cyanoethenyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl 3-methoxybenzoate

Systemtic Name: [3-[(E)-2-cyanoethenyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl 3-methoxybenzoate Openeye Name: [3-[(E)-2-cyanovinyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [3-[(E)-2-cyanoethenyl]-6-[(cyclopentylmethylamino)-oxomethyl]-1-indolyl]methyl ester IUPAC Name: [3-[(E)-2-cyanoethenyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [3-[(E)-2-cyanovinyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OCN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)C=CC#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OCN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)/C=C/C#N

InChI

InChI=1S/C27H27N3O4/c1-33-23-10-4-8-21(14-23)27(32)34-18-30-17-22(9-5-13-28)24-12-11-20(15-25(24)30)26(31)29-16-19-6-2-3-7-19/h4-5,8-12,14-15,17,19H,2-3,6-7,16,18H2,1H3,(H,29,31)/b9-5+