2-[[6-[2-(cyclopentylmethylamino)-2-oxidanylidene-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 2-[[6-[2-(cyclopentylmethylamino)-2-oxidanylidene-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 2-[[6-[2-(cyclopentylmethylamino)-2-oxo-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 2-[[6-[2-(cyclopentylmethylamino)-2-oxoethyl]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 2-[[6-[2-(cyclopentylmethylamino)-2-oxoethyl]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 2-[[6-[2-(cyclopentylmethylamino)-2-keto-ethyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CN2C=CC3=C2C=C(C=C3)CC(=O)NCC4CCCC4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1CN2C=CC3=C2C=C(C=C3)CC(=O)NCC4CCCC4)C(=O)O

InChI

InChI=1S/C25H28N2O4/c1-31-23-8-4-7-20(25(29)30)21(23)16-27-12-11-19-10-9-18(13-22(19)27)14-24(28)26-15-17-5-2-3-6-17/h4,7-13,17H,2-3,5-6,14-16H2,1H3,(H,26,28)(H,29,30)