2-[[3-[(E)-2-cyanoethenyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)C=CC#N)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1CN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)/C=C/C#N)C(=O)O

InChI

InChI=1S/C27H27N3O4/c1-34-25-10-4-9-22(27(32)33)23(25)17-30-16-20(8-5-13-28)21-12-11-19(14-24(21)30)26(31)29-15-18-6-2-3-7-18/h4-5,8-12,14,16,18H,2-3,6-7,15,17H2,1H3,(H,29,31)(H,32,33)/b8-5+