3-[(2E)-4,4-dimethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]propanoic acid

Systemtic Name: 3-[(2E)-4,4-dimethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]propanoic acid Openeye Name: 3-[(2E)-4,4-dimethyl-2-[2-oxo-2-(p-tolyl)ethylidene]pyrrolidin-1-yl]propanoic acid CAS Name: 3-[(2E)-4,4-dimethyl-2-[2-(4-methylphenyl)-2-oxoethylidene]-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-[(2E)-4,4-dimethyl-2-[2-(4-methylphenyl)-2-oxoethylidene]pyrrolidin-1-yl]propanoic acid Traditional Name: 3-[(2E)-2-[2-keto-2-(p-tolyl)ethylidene]-4,4-dimethyl-pyrrolidino]propionic acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=C2CC(CN2CCC(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/2\CC(CN2CCC(=O)O)(C)C

InChI

InChI=1S/C18H23NO3/c1-13-4-6-14(7-5-13)16(20)10-15-11-18(2,3)12-19(15)9-8-17(21)22/h4-7,10H,8-9,11-12H2,1-3H3,(H,21,22)/b15-10+