3-(2-methylpiperidin-1-yl)-1-oxidanylidene-2H-isoquinoline-5-carboxylic acid

Systemtic Name: 3-(2-methylpiperidin-1-yl)-1-oxidanylidene-2H-isoquinoline-5-carboxylic acid Openeye Name: 3-(2-methyl-1-piperidyl)-1-oxo-2H-isoquinoline-5-carboxylic acid CAS Name: 3-(2-methyl-1-piperidinyl)-1-oxo-2H-isoquinoline-5-carboxylic acid IUPAC Name: 3-(2-methylpiperidin-1-yl)-1-oxo-2H-isoquinoline-5-carboxylic acid Traditional Name: 1-keto-3-(2-methylpiperidino)-2H-isoquinoline-5-carboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC3=C(C=CC=C3C(=O)O)C(=O)N2

Isomeric SMILES

CC1CCCCN1C2=CC3=C(C=CC=C3C(=O)O)C(=O)N2

InChI

InChI=1S/C16H18N2O3/c1-10-5-2-3-8-18(10)14-9-13-11(15(19)17-14)6-4-7-12(13)16(20)21/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,17,19)(H,20,21)