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

Systemtic Name: butyl 4-[(4-methyl-1,4-diazepan-1-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoate CAS Name: 4-[[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoate Traditional Name: 4-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid butyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)C

InChI

InChI=1S/C18H27N3O3/c1-3-4-14-24-17(22)15-6-8-16(9-7-15)19-18(23)21-11-5-10-20(2)12-13-21/h6-9H,3-5,10-14H2,1-2H3,(H,19,23)