2-[3-[(1-methylcyclohexyl)carbamoyl-(3-methylphenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(1-methylcyclohexyl)carbamoyl-(3-methylphenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[3-methyl-N-[(1-methylcyclohexyl)carbamoyl]anilino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetic acid CAS Name: 2-[3-(3-methyl-N-[[(1-methylcyclohexyl)amino]-oxomethyl]anilino)-2-oxo-5,7-diphenyl-1-azepanyl]acetic acid IUPAC Name: 2-[3-[3-methyl-N-[(1-methylcyclohexyl)carbamoyl]anilino]-2-oxo-5,7-diphenylazepan-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[3-methyl-N-[(1-methylcyclohexyl)carbamoyl]anilino]-5,7-diphenyl-azepan-1-yl]acetic acid Formula: C35H41N3O4 MolecularWeight: 567.71774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2CC(CC(N(C2=O)CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5(CCCCC5)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2CC(CC(N(C2=O)CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5(CCCCC5)C

InChI

InChI=1S/C35H41N3O4/c1-25-13-12-18-29(21-25)38(34(42)36-35(2)19-10-5-11-20-35)31-23-28(26-14-6-3-7-15-26)22-30(27-16-8-4-9-17-27)37(33(31)41)24-32(39)40/h3-4,6-9,12-18,21,28,30-31H,5,10-11,19-20,22-24H2,1-2H3,(H,36,42)(H,39,40)