[2-methoxy-4-[2-[[3-(4-methylcyclohexyl)phenyl]amino]-2-oxidanylidene-ethyl]phenyl] benzoate

Systemtic Name: [2-methoxy-4-[2-[[3-(4-methylcyclohexyl)phenyl]amino]-2-oxidanylidene-ethyl]phenyl] benzoate Openeye Name: [2-methoxy-4-[2-[3-(4-methylcyclohexyl)anilino]-2-oxo-ethyl]phenyl] benzoate CAS Name: benzoic acid [2-methoxy-4-[2-[3-(4-methylcyclohexyl)anilino]-2-oxoethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[2-[3-(4-methylcyclohexyl)anilino]-2-oxoethyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-keto-2-[3-(4-methylcyclohexyl)anilino]ethyl]-2-methoxy-phenyl] ester Formula: C29H31NO4 MolecularWeight: 457.56074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2=CC(=CC=C2)NC(=O)CC3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CC1CCC(CC1)C2=CC(=CC=C2)NC(=O)CC3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C29H31NO4/c1-20-11-14-22(15-12-20)24-9-6-10-25(19-24)30-28(31)18-21-13-16-26(27(17-21)33-2)34-29(32)23-7-4-3-5-8-23/h3-10,13,16-17,19-20,22H,11-12,14-15,18H2,1-2H3,(H,30,31)