tert-butyl 2-[7-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[7-cyclohexyl-3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-azepan-1-yl]acetate CAS Name: 2-[7-cyclohexyl-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-cyclohexyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenylazepan-1-yl]acetate Traditional Name: 2-[7-cyclohexyl-2-keto-3-(m-tolylcarbamoylamino)-5-phenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C32H43N3O4 MolecularWeight: 533.70152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)OC(C)(C)C)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)OC(C)(C)C)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C32H43N3O4/c1-22-12-11-17-26(18-22)33-31(38)34-27-19-25(23-13-7-5-8-14-23)20-28(24-15-9-6-10-16-24)35(30(27)37)21-29(36)39-32(2,3)4/h5,7-8,11-14,17-18,24-25,27-28H,6,9-10,15-16,19-21H2,1-4H3,(H2,33,34,38)