1-[(7,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(7,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-keto-7,8-dimethyl-1H-quinolin-2-yl)methyl]isonipecotic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C=C(N2)CN3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(N2)CN3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C18H22N2O3/c1-11-3-4-15-16(21)9-14(19-17(15)12(11)2)10-20-7-5-13(6-8-20)18(22)23/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,21)(H,22,23)