ethyl 4-[(E)-3-oxidanylidene-3-[(2-oxidanylideneazepan-4-yl)amino]prop-1-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-3-oxidanylidene-3-[(2-oxidanylideneazepan-4-yl)amino]prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-3-oxo-3-[(2-oxoazepan-4-yl)amino]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[(2-oxo-4-azepanyl)amino]prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-oxo-3-[(2-oxoazepan-4-yl)amino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[(2-ketoazepan-4-yl)amino]prop-1-enyl]benzoic acid ethyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=CC(=O)NC2CCCNC(=O)C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2CCCNC(=O)C2

InChI

InChI=1S/C18H22N2O4/c1-2-24-18(23)14-8-5-13(6-9-14)7-10-16(21)20-15-4-3-11-19-17(22)12-15/h5-10,15H,2-4,11-12H2,1H3,(H,19,22)(H,20,21)/b10-7+