1-(2-chlorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(2-chlorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)-1H-isoquinoline-4-carboxylic acid Openeye Name: 1-(2-chlorophenyl)-2-(1-isopropyl-4-piperidyl)-1H-isoquinoline-4-carboxylic acid CAS Name: 1-(2-chlorophenyl)-2-(1-propan-2-yl-4-piperidinyl)-1H-isoquinoline-4-carboxylic acid IUPAC Name: 1-(2-chlorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)-1H-isoquinoline-4-carboxylic acid Traditional Name: 1-(2-chlorophenyl)-2-(1-isopropyl-4-piperidyl)-1H-isoquinoline-4-carboxylic acid Formula: C24H27ClN2O2 MolecularWeight: 410.93638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)N2C=C(C3=CC=CC=C3C2C4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

CC(C)N1CCC(CC1)N2C=C(C3=CC=CC=C3C2C4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C24H27ClN2O2/c1-16(2)26-13-11-17(12-14-26)27-15-21(24(28)29)18-7-3-4-8-19(18)23(27)20-9-5-6-10-22(20)25/h3-10,15-17,23H,11-14H2,1-2H3,(H,28,29)