methyl 2-(4-azanylcyclohexyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate hydrochloride

Systemtic Name: methyl 2-(4-azanylcyclohexyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate hydrochloride Openeye Name: methyl 2-(4-aminocyclohexyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate hydrochloride CAS Name: 2-(4-aminocyclohexyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(4-aminocyclohexyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate hydrochloride Traditional Name: 2-(4-aminocyclohexyl)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester hydrochloride Formula: C26H31ClN2O6 MolecularWeight: 502.98714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4CCC(CC4)N)C(=O)OC.Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4CCC(CC4)N)C(=O)OC.Cl

InChI

InChI=1S/C26H30N2O6.ClH/c1-31-20-13-15(14-21(32-2)24(20)33-3)22-18-7-5-6-8-19(18)25(29)28(23(22)26(30)34-4)17-11-9-16(27)10-12-17;/h5-8,13-14,16-17H,9-12,27H2,1-4H3;1H