4-[[1-(3-azanyl-3-oxidanylidene-propyl)-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[1-(3-azanyl-3-oxidanylidene-propyl)-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-(3-amino-3-oxo-propyl)-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-(3-amino-3-oxopropyl)-5-[(cyclopentylmethylamino)-oxomethyl]-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-(3-amino-3-oxopropyl)-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-(3-amino-3-keto-propyl)-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)CCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)CCC(=O)N

InChI

InChI=1S/C27H31N3O5/c1-35-24-14-20(27(33)34)7-6-18(24)12-21-16-30(11-10-25(28)31)23-9-8-19(13-22(21)23)26(32)29-15-17-4-2-3-5-17/h6-9,13-14,16-17H,2-5,10-12,15H2,1H3,(H2,28,31)(H,29,32)(H,33,34)