2-[(3S,4S)-4-ethanoyl-5-methyl-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(3S,4S)-4-ethanoyl-5-methyl-2-oxidanylidene-1-(phenylmethyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(3S,4S)-4-acetyl-1-benzyl-5-methyl-2-oxo-pyrrolidin-3-yl]acetic acid CAS Name: 2-[(3S,4S)-4-acetyl-5-methyl-2-oxo-1-(phenylmethyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(3S,4S)-4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl]acetic acid Traditional Name: 2-[(3S,4S)-4-acetyl-1-benzyl-2-keto-5-methyl-pyrrolidin-3-yl]acetic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=O)N1CC2=CC=CC=C2)CC(=O)O)C(=O)C

Isomeric SMILES

CC1[C@H]([C@@H](C(=O)N1CC2=CC=CC=C2)CC(=O)O)C(=O)C

InChI

InChI=1S/C16H19NO4/c1-10-15(11(2)18)13(8-14(19)20)16(21)17(10)9-12-6-4-3-5-7-12/h3-7,10,13,15H,8-9H2,1-2H3,(H,19,20)/t10?,13-,15-/m0/s1