6,7-dimethoxy-1-oxidanylidene-2-(2-piperidin-1-ylethyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-oxidanylidene-2-(2-piperidin-1-ylethyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Openeye Name: 6,7-dimethoxy-1-oxo-2-[2-(1-piperidyl)ethyl]-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid CAS Name: 6,7-dimethoxy-1-oxo-2-[2-(1-piperidinyl)ethyl]-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-oxo-2-(2-piperidin-1-ylethyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Traditional Name: 1-keto-6,7-dimethoxy-2-(2-piperidinoethyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Formula: C28H34N2O8 MolecularWeight: 526.57816

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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)CCN4CCCCC4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CCN4CCCCC4)C(=O)O

InChI

InChI=1S/C28H34N2O8/c1-34-20-15-18-19(16-21(20)35-2)27(31)30(12-11-29-9-7-6-8-10-29)25(28(32)33)24(18)17-13-22(36-3)26(38-5)23(14-17)37-4/h13-16H,6-12H2,1-5H3,(H,32,33)