ethyl 2-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-1,4-diazepane-1-carbonyl]amino]benzoate CAS Name: 2-[[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepan-1-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,4-diazepane-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]-1,4-diazepane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)N2CCCN(CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C25H32N4O4/c1-4-33-24(31)20-11-5-6-12-21(20)26-25(32)29-14-8-13-28(15-16-29)17-22(30)27-23-18(2)9-7-10-19(23)3/h5-7,9-12H,4,8,13-17H2,1-3H3,(H,26,32)(H,27,30)