(2S)-2-[[(Z)-2-ethoxycarbonyl-3-oxidanylidene-3-phenyl-prop-1-enyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(Z)-2-ethoxycarbonyl-3-oxidanylidene-3-phenyl-prop-1-enyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(Z)-2-benzoyl-3-ethoxy-3-oxo-prop-1-enyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(Z)-2-benzoyl-3-ethoxy-3-oxoprop-1-enyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(Z)-2-benzoyl-3-ethoxy-3-oxoprop-1-enyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(Z)-2-benzoyl-3-ethoxy-3-keto-prop-1-enyl]amino]-3-phenyl-propionic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C\N[C@@H](CC1=CC=CC=C1)C(=O)O)/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21NO5/c1-2-27-21(26)17(19(23)16-11-7-4-8-12-16)14-22-18(20(24)25)13-15-9-5-3-6-10-15/h3-12,14,18,22H,2,13H2,1H3,(H,24,25)/b17-14-/t18-/m0/s1