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

Systemtic Name: 2-butyl-1-methyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Openeye Name: 2-butyl-1-methyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid CAS Name: 2-butyl-1-methyl-3-(4-phenyl-1-cyclohexenyl)-6-indolecarboxylic acid IUPAC Name: 2-butyl-1-methyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Traditional Name: 2-butyl-1-methyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Formula: C26H29NO2 MolecularWeight: 387.51396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1C)C=C(C=C2)C(=O)O)C3=CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(C2=C(N1C)C=C(C=C2)C(=O)O)C3=CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H29NO2/c1-3-4-10-23-25(22-16-15-21(26(28)29)17-24(22)27(23)2)20-13-11-19(12-14-20)18-8-6-5-7-9-18/h5-9,13,15-17,19H,3-4,10-12,14H2,1-2H3,(H,28,29)