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

Systemtic Name: 2-butyl-1-(carboxymethyl)-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Openeye Name: 2-butyl-1-(carboxymethyl)-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid CAS Name: 2-butyl-1-(carboxymethyl)-3-(4-phenyl-1-cyclohexenyl)-6-indolecarboxylic acid IUPAC Name: 2-butyl-1-(carboxymethyl)-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Traditional Name: 2-butyl-1-(carboxymethyl)-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1CC(=O)O)C=C(C=C2)C(=O)O)C3=CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C2=C(N1CC(=O)O)C=C(C=C2)C(=O)O)C3=CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H29NO4/c1-2-3-9-23-26(20-12-10-19(11-13-20)18-7-5-4-6-8-18)22-15-14-21(27(31)32)16-24(22)28(23)17-25(29)30/h4-8,12,14-16,19H,2-3,9-11,13,17H2,1H3,(H,29,30)(H,31,32)