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

Systemtic Name: tert-butyl 2-[7-cyclohexyl-3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[7-cyclohexyl-3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-5-phenyl-azepan-1-yl]acetate CAS Name: 2-[7-cyclohexyl-3-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxo-5-phenyl-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-cyclohexyl-3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-5-phenylazepan-1-yl]acetate Traditional Name: 2-[7-cyclohexyl-2-keto-3-[(3-methoxyphenyl)carbamoylamino]-5-phenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C32H43N3O5 MolecularWeight: 549.70092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)OC)C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C32H43N3O5/c1-32(2,3)40-29(36)21-35-28(23-14-9-6-10-15-23)19-24(22-12-7-5-8-13-22)18-27(30(35)37)34-31(38)33-25-16-11-17-26(20-25)39-4/h5,7-8,11-13,16-17,20,23-24,27-28H,6,9-10,14-15,18-19,21H2,1-4H3,(H2,33,34,38)