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

Systemtic Name: [2-methyl-4-(1-oxidanylcyclohexyl)-3,4-dihydro-1H-isoquinolin-7-yl] 2-chloranylbenzoate Openeye Name: [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [4-(1-hydroxycyclohexyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] ester Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C2=C(C1)C=C(C=C2)OC(=O)C3=CC=CC=C3Cl)C4(CCCCC4)O

Isomeric SMILES

CN1CC(C2=C(C1)C=C(C=C2)OC(=O)C3=CC=CC=C3Cl)C4(CCCCC4)O

InChI

InChI=1S/C23H26ClNO3/c1-25-14-16-13-17(28-22(26)19-7-3-4-8-21(19)24)9-10-18(16)20(15-25)23(27)11-5-2-6-12-23/h3-4,7-10,13,20,27H,2,5-6,11-12,14-15H2,1H3