1-(2-ethoxy-2-oxidanylidene-ethyl)-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid

Systemtic Name: 1-(2-ethoxy-2-oxidanylidene-ethyl)-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Openeye Name: 1-(2-ethoxy-2-oxo-ethyl)-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid CAS Name: 1-(2-ethoxy-2-oxoethyl)-2-phenethyl-3-(4-phenyl-1-cyclohexenyl)-6-indolecarboxylic acid IUPAC Name: 1-(2-ethoxy-2-oxoethyl)-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Traditional Name: 1-(2-ethoxy-2-keto-ethyl)-2-phenethyl-3-(4-phenylcyclohexen-1-yl)indole-6-carboxylic acid Formula: C33H33NO4 MolecularWeight: 507.61942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1CCC3=CC=CC=C3)C4=CCC(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1CCC3=CC=CC=C3)C4=CCC(CC4)C5=CC=CC=C5

InChI

InChI=1S/C33H33NO4/c1-2-38-31(35)22-34-29(20-13-23-9-5-3-6-10-23)32(28-19-18-27(33(36)37)21-30(28)34)26-16-14-25(15-17-26)24-11-7-4-8-12-24/h3-12,16,18-19,21,25H,2,13-15,17,20,22H2,1H3,(H,36,37)