1-(carboxymethyl)-2-cyclopentyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-2-cyclopentyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Openeye Name: 1-(carboxymethyl)-2-cyclopentyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid CAS Name: 1-(carboxymethyl)-2-cyclopentyl-3-(4-phenyl-1-cyclohexenyl)-6-indolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-2-cyclopentyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Traditional Name: 1-(carboxymethyl)-2-cyclopentyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C3=C(N2CC(=O)O)C=C(C=C3)C(=O)O)C4=CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C2=C(C3=C(N2CC(=O)O)C=C(C=C3)C(=O)O)C4=CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H29NO4/c30-25(31)17-29-24-16-22(28(32)33)14-15-23(24)26(27(29)21-8-4-5-9-21)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-3,6-7,12,14-16,19,21H,4-5,8-11,13,17H2,(H,30,31)(H,32,33)