[2-methyl-4-(1-oxidanylcyclohexyl)-3,4-dihydro-1H-isoquinolin-7-yl] pyridine-3-carboxylate

Systemtic Name: [2-methyl-4-(1-oxidanylcyclohexyl)-3,4-dihydro-1H-isoquinolin-7-yl] pyridine-3-carboxylate Openeye Name: [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester IUPAC Name: [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C=C(C=C2)OC(=O)C3=CN=CC=C3)C4(CCCCC4)O

Isomeric SMILES

CN1CC(C2=C(C1)C=C(C=C2)OC(=O)C3=CN=CC=C3)C4(CCCCC4)O

InChI

InChI=1S/C22H26N2O3/c1-24-14-17-12-18(27-21(25)16-6-5-11-23-13-16)7-8-19(17)20(15-24)22(26)9-3-2-4-10-22/h5-8,11-13,20,26H,2-4,9-10,14-15H2,1H3