5-bromanyl-4-[2-[[(2-cyclohexyl-6-methyl-phenyl)-(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]-2-methoxy-benzoic acid

Systemtic Name: 5-bromanyl-4-[2-[[(2-cyclohexyl-6-methyl-phenyl)-(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]-2-methoxy-benzoic acid Openeye Name: 5-bromo-4-[2-[[(2-cyclohexyl-6-methyl-phenyl)-(4-methoxyphenyl)methyl]amino]-2-oxo-ethyl]-2-methoxy-benzoic acid CAS Name: 5-bromo-4-[2-[[(2-cyclohexyl-6-methylphenyl)-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzoic acid IUPAC Name: 5-bromo-4-[2-[[(2-cyclohexyl-6-methylphenyl)-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzoic acid Traditional Name: 5-bromo-4-[2-[[(2-cyclohexyl-6-methyl-phenyl)-(4-methoxyphenyl)methyl]amino]-2-keto-ethyl]-2-methoxy-benzoic acid Formula: C31H34BrNO5 MolecularWeight: 580.50936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C(C2=CC=C(C=C2)OC)NC(=O)CC3=C(C=C(C(=C3)OC)C(=O)O)Br)C4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1C(C2=CC=C(C=C2)OC)NC(=O)CC3=C(C=C(C(=C3)OC)C(=O)O)Br)C4CCCCC4

InChI

InChI=1S/C31H34BrNO5/c1-19-8-7-11-24(20-9-5-4-6-10-20)29(19)30(21-12-14-23(37-2)15-13-21)33-28(34)17-22-16-27(38-3)25(31(35)36)18-26(22)32/h7-8,11-16,18,20,30H,4-6,9-10,17H2,1-3H3,(H,33,34)(H,35,36)