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

Systemtic Name: tert-butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-(m-tolylcarbamoylamino)-2-oxo-7-phenyl-azepan-1-yl]acetate CAS Name: 2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-7-phenyl-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-7-phenylazepan-1-yl]acetate Traditional Name: 2-[2-keto-3-(m-tolylcarbamoylamino)-7-phenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CCCC(N(C2=O)CC(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O4/c1-18-10-8-13-20(16-18)27-25(32)28-21-14-9-15-22(19-11-6-5-7-12-19)29(24(21)31)17-23(30)33-26(2,3)4/h5-8,10-13,16,21-22H,9,14-15,17H2,1-4H3,(H2,27,28,32)