2-[(3S,5R)-5-ethanoyl-6-methylidene-2-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[(3S,5R)-5-ethanoyl-6-methylidene-2-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]ethanoic acid Openeye Name: 2-[(3S,5R)-5-acetyl-1-benzyl-6-methylene-2-oxo-3-piperidyl]acetic acid CAS Name: 2-[(3S,5R)-5-acetyl-6-methylene-2-oxo-1-(phenylmethyl)-3-piperidinyl]acetic acid IUPAC Name: 2-[(3S,5R)-5-acetyl-1-benzyl-6-methylidene-2-oxopiperidin-3-yl]acetic acid Traditional Name: 2-[(3S,5R)-5-acetyl-1-benzyl-2-keto-6-methylene-3-piperidyl]acetic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(C(=O)N(C1=C)CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(=O)[C@@H]1C[C@H](C(=O)N(C1=C)CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C17H19NO4/c1-11-15(12(2)19)8-14(9-16(20)21)17(22)18(11)10-13-6-4-3-5-7-13/h3-7,14-15H,1,8-10H2,2H3,(H,20,21)/t14-,15+/m0/s1