methyl 3-[(4-ethanoyl-1,4-diazepan-1-yl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(4-ethanoyl-1,4-diazepan-1-yl)carbonylamino]benzoate Openeye Name: methyl 3-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]benzoate CAS Name: 3-[[(4-acetyl-1,4-diazepan-1-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]benzoate Traditional Name: 3-[(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(=C2)C(=O)OC

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

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