4-[[6-(cyclopentylmethylcarbamoyl)-3-(3-methoxy-3-oxidanylidene-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-(cyclopentylmethylcarbamoyl)-3-(3-methoxy-3-oxidanylidene-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(cyclopentylmethylcarbamoyl)-3-(3-methoxy-3-oxo-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(cyclopentylmethylamino)-oxomethyl]-3-(3-methoxy-3-oxopropyl)-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(cyclopentylmethylcarbamoyl)-3-(3-methoxy-3-oxopropyl)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(cyclopentylmethylcarbamoyl)-3-(3-keto-3-methoxy-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)CCC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=C(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)CCC(=O)OC

InChI

InChI=1S/C28H32N2O6/c1-35-25-14-20(28(33)34)7-8-22(25)17-30-16-21(10-12-26(31)36-2)23-11-9-19(13-24(23)30)27(32)29-15-18-5-3-4-6-18/h7-9,11,13-14,16,18H,3-6,10,12,15,17H2,1-2H3,(H,29,32)(H,33,34)