ethyl 6-azanyl-2-[[(E)-4-oxidanylidene-4-phenyl-but-2-enoyl]amino]hexanoate hydrochloride

Systemtic Name: ethyl 6-azanyl-2-[[(E)-4-oxidanylidene-4-phenyl-but-2-enoyl]amino]hexanoate hydrochloride Openeye Name: ethyl 6-amino-2-[[(E)-4-oxo-4-phenyl-but-2-enoyl]amino]hexanoate hydrochloride CAS Name: 6-amino-2-[[(E)-1,4-dioxo-4-phenylbut-2-enyl]amino]hexanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 6-amino-2-[[(E)-4-oxo-4-phenylbut-2-enoyl]amino]hexanoate hydrochloride Traditional Name: 6-amino-2-[[(E)-4-keto-4-phenyl-but-2-enoyl]amino]hexanoic acid ethyl ester hydrochloride Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN)NC(=O)C=CC(=O)C1=CC=CC=C1.Cl

Isomeric SMILES

CCOC(=O)C(CCCCN)NC(=O)/C=C/C(=O)C1=CC=CC=C1.Cl

InChI

InChI=1S/C18H24N2O4.ClH/c1-2-24-18(23)15(10-6-7-13-19)20-17(22)12-11-16(21)14-8-4-3-5-9-14;/h3-5,8-9,11-12,15H,2,6-7,10,13,19H2,1H3,(H,20,22);1H/b12-11+;