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

Systemtic Name: methyl 2-(4-oxidanylcyclohexyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-hydroxycyclohexyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(4-hydroxycyclohexyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-hydroxycyclohexyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-hydroxycyclohexyl)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C26H29NO7 MolecularWeight: 467.51096

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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)O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO7/c1-31-20-13-15(14-21(32-2)24(20)33-3)22-18-7-5-6-8-19(18)25(29)27(23(22)26(30)34-4)16-9-11-17(28)12-10-16/h5-8,13-14,16-17,28H,9-12H2,1-4H3