(4-methoxycarbonylphenyl) 4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,4-diazepane-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 4-[2-(benzylamino)-2-oxo-ethyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1,4-diazepane-1-carboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 4-[2-(benzylamino)-2-oxoethyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]-1,4-diazepane-1-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O5/c1-30-22(28)19-8-10-20(11-9-19)31-23(29)26-13-5-12-25(14-15-26)17-21(27)24-16-18-6-3-2-4-7-18/h2-4,6-11H,5,12-17H2,1H3,(H,24,27)