(2S,3R)-2-(furan-2-yl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: (2S,3R)-2-(furan-2-yl)-1-(4-methylphenyl)-6-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-2-(2-furyl)-6-oxo-1-(p-tolyl)piperidine-3-carboxylic acid CAS Name: (2S,3R)-2-(2-furanyl)-1-(4-methylphenyl)-6-oxo-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-2-(furan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid Traditional Name: (2S,3R)-2-(2-furyl)-6-keto-1-(p-tolyl)nipecotic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)O)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@@H](CCC2=O)C(=O)O)C3=CC=CO3

InChI

InChI=1S/C17H17NO4/c1-11-4-6-12(7-5-11)18-15(19)9-8-13(17(20)21)16(18)14-3-2-10-22-14/h2-7,10,13,16H,8-9H2,1H3,(H,20,21)/t13-,16+/m1/s1