4-[6,7-dimethoxy-3-methoxycarbonyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[6,7-dimethoxy-3-methoxycarbonyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[6,7-dimethoxy-3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-2-isoquinolyl]cyclohexanecarboxylic acid CAS Name: 4-[6,7-dimethoxy-3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-2-isoquinolinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[6,7-dimethoxy-3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-carbomethoxy-1-keto-6,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)-2-isoquinolyl]cyclohexanecarboxylic acid Formula: C29H33NO10 MolecularWeight: 555.57302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO10/c1-35-20-13-18-19(14-21(20)36-2)27(31)30(17-9-7-15(8-10-17)28(32)33)25(29(34)40-6)24(18)16-11-22(37-3)26(39-5)23(12-16)38-4/h11-15,17H,7-10H2,1-6H3,(H,32,33)