tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetate CAS Name: 2-[3-[[(3-chloroanilino)-oxomethyl]amino]-2-oxo-5,7-diphenyl-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(3-chlorophenyl)carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetate Traditional Name: 2-[3-[(3-chlorophenyl)carbamoylamino]-2-keto-5,7-diphenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C31H34ClN3O4 MolecularWeight: 548.07236

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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)Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CC(CC(C1=O)NC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H34ClN3O4/c1-31(2,3)39-28(36)20-35-27(22-13-8-5-9-14-22)18-23(21-11-6-4-7-12-21)17-26(29(35)37)34-30(38)33-25-16-10-15-24(32)19-25/h4-16,19,23,26-27H,17-18,20H2,1-3H3,(H2,33,34,38)