(2R)-2-[[(2R,5R)-3-oxidanylidene-5-phenyl-2-propanoyl-cyclohexylidene]amino]propanoic acid

Systemtic Name: (2R)-2-[[(2R,5R)-3-oxidanylidene-5-phenyl-2-propanoyl-cyclohexylidene]amino]propanoic acid Openeye Name: (2R)-2-[[(2R,5R)-3-oxo-5-phenyl-2-propanoyl-cyclohexylidene]amino]propanoic acid CAS Name: (2R)-2-[[(2R,5R)-3-oxo-2-(1-oxopropyl)-5-phenylcyclohexylidene]amino]propanoic acid IUPAC Name: (2R)-2-[[(2R,5R)-3-oxo-5-phenyl-2-propanoylcyclohexylidene]amino]propanoic acid Traditional Name: (2R)-2-[[(2R,5R)-3-keto-5-phenyl-2-propionyl-cyclohexylidene]amino]propionic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(=NC(C)C(=O)O)CC(CC1=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)[C@H]1C(=N[C@H](C)C(=O)O)C[C@H](CC1=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO4/c1-3-15(20)17-14(19-11(2)18(22)23)9-13(10-16(17)21)12-7-5-4-6-8-12/h4-8,11,13,17H,3,9-10H2,1-2H3,(H,22,23)/t11-,13-,17-/m1/s1