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

Systemtic Name: 6-azanyl-2-[[(E)-4-oxidanylidene-4-phenyl-but-2-enoyl]amino]hexanoic acid hydrochloride Openeye Name: 6-amino-2-[[(E)-4-oxo-4-phenyl-but-2-enoyl]amino]hexanoic acid hydrochloride CAS Name: 6-amino-2-[[(E)-1,4-dioxo-4-phenylbut-2-enyl]amino]hexanoic acid hydrochloride IUPAC Name: 6-amino-2-[[(E)-4-oxo-4-phenylbut-2-enoyl]amino]hexanoic acid hydrochloride Traditional Name: 6-amino-2-[[(E)-4-keto-4-phenyl-but-2-enoyl]amino]hexanoic acid hydrochloride Formula: C16H21ClN2O4 MolecularWeight: 340.80194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4.ClH/c17-11-5-4-8-13(16(21)22)18-15(20)10-9-14(19)12-6-2-1-3-7-12;/h1-3,6-7,9-10,13H,4-5,8,11,17H2,(H,18,20)(H,21,22);1H/b10-9+;