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

Systemtic Name: 2-[(3S,5R)-6-methylidene-2-oxidanylidene-5-(phenylcarbonyl)-1-(phenylmethyl)piperidin-3-yl]ethanoic acid Openeye Name: 2-[(3S,5R)-5-benzoyl-1-benzyl-6-methylene-2-oxo-3-piperidyl]acetic acid CAS Name: 2-[(3S,5R)-5-benzoyl-6-methylene-2-oxo-1-(phenylmethyl)-3-piperidinyl]acetic acid IUPAC Name: 2-[(3S,5R)-5-benzoyl-1-benzyl-6-methylidene-2-oxopiperidin-3-yl]acetic acid Traditional Name: 2-[(3S,5R)-5-benzoyl-1-benzyl-2-keto-6-methylene-3-piperidyl]acetic acid Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(CC(C(=O)N1CC2=CC=CC=C2)CC(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C=C1[C@@H](C[C@H](C(=O)N1CC2=CC=CC=C2)CC(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO4/c1-15-19(21(26)17-10-6-3-7-11-17)12-18(13-20(24)25)22(27)23(15)14-16-8-4-2-5-9-16/h2-11,18-19H,1,12-14H2,(H,24,25)/t18-,19+/m0/s1