2-(1-ethylpiperidin-3-yl)-6,7-dimethyl-1-phenyl-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 2-(1-ethylpiperidin-3-yl)-6,7-dimethyl-1-phenyl-1H-isoquinoline-4-carboxylic acid Openeye Name: 2-(1-ethyl-3-piperidyl)-6,7-dimethyl-1-phenyl-1H-isoquinoline-4-carboxylic acid CAS Name: 2-(1-ethyl-3-piperidinyl)-6,7-dimethyl-1-phenyl-1H-isoquinoline-4-carboxylic acid IUPAC Name: 2-(1-ethylpiperidin-3-yl)-6,7-dimethyl-1-phenyl-1H-isoquinoline-4-carboxylic acid Traditional Name: 2-(1-ethyl-3-piperidyl)-6,7-dimethyl-1-phenyl-1H-isoquinoline-4-carboxylic acid Formula: C25H30N2O2 MolecularWeight: 390.5179

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)N2C=C(C3=CC(=C(C=C3C2C4=CC=CC=C4)C)C)C(=O)O

Isomeric SMILES

CCN1CCCC(C1)N2C=C(C3=CC(=C(C=C3C2C4=CC=CC=C4)C)C)C(=O)O

InChI

InChI=1S/C25H30N2O2/c1-4-26-12-8-11-20(15-26)27-16-23(25(28)29)21-13-17(2)18(3)14-22(21)24(27)19-9-6-5-7-10-19/h5-7,9-10,13-14,16,20,24H,4,8,11-12,15H2,1-3H3,(H,28,29)