ethyl (2Z,5S)-5-azanyl-4-oxidanylidene-6-phenyl-2-(phenylmethylidene)hexanoate chloride

Systemtic Name: ethyl (2Z,5S)-5-azanyl-4-oxidanylidene-6-phenyl-2-(phenylmethylidene)hexanoate chloride Openeye Name: ethyl (2Z,5S)-5-amino-2-benzylidene-4-oxo-6-phenyl-hexanoate chloride CAS Name: (2Z,5S)-5-amino-4-oxo-6-phenyl-2-(phenylmethylene)hexanoic acid ethyl ester chloride IUPAC Name: ethyl (2Z,5S)-5-amino-2-benzylidene-4-oxo-6-phenylhexanoate chloride Traditional Name: (Z)-2-[(3S)-3-amino-2-keto-4-phenyl-butyl]-3-phenyl-acrylic acid ethyl ester chloride Formula: C21H23ClNO3- MolecularWeight: 372.86522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CC=C1)CC(=O)C(CC2=CC=CC=C2)N.[Cl-]

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=CC=C1)/CC(=O)[C@H](CC2=CC=CC=C2)N.[Cl-]

InChI

InChI=1S/C21H23NO3.ClH/c1-2-25-21(24)18(13-16-9-5-3-6-10-16)15-20(23)19(22)14-17-11-7-4-8-12-17;/h3-13,19H,2,14-15,22H2,1H3;1H/p-1/b18-13-;/t19-;/m0./s1