4-[[3-[(E)-2-cyanoethenyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[3-[(E)-2-cyanoethenyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[3-[(E)-2-cyanovinyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[3-[(E)-2-cyanoethenyl]-6-[(cyclopentylmethylamino)-oxomethyl]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3-[(E)-2-cyanoethenyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[3-[(E)-2-cyanovinyl]-6-(cyclopentylmethylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)C=CC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)/C=C/C#N

InChI

InChI=1S/C27H27N3O4/c1-34-25-14-20(27(32)33)8-9-22(25)17-30-16-21(7-4-12-28)23-11-10-19(13-24(23)30)26(31)29-15-18-5-2-3-6-18/h4,7-11,13-14,16,18H,2-3,5-6,15,17H2,1H3,(H,29,31)(H,32,33)/b7-4+