methyl 2-[(4-ethanoyl-1,4-diazepan-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 2-[(4-ethanoyl-1,4-diazepan-1-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]benzoate CAS Name: 2-[[(4-acetyl-1,4-diazepan-1-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]benzoate Traditional Name: 2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]benzoic acid methyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H21N3O4/c1-12(20)18-8-5-9-19(11-10-18)16(22)17-14-7-4-3-6-13(14)15(21)23-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,22)