3-pyridin-3-ylpropyl 2-[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 2-[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: 3-(3-pyridyl)propyl 2-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[1,2-dioxo-2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-keto-2-(3,4,5-trimethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C29H30N2O7 MolecularWeight: 518.5577

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CC3=CC=CC=C3CC2C(=O)OCCCC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CC3=CC=CC=C3CC2C(=O)OCCCC4=CN=CC=C4

InChI

InChI=1S/C29H30N2O7/c1-35-24-15-22(16-25(36-2)27(24)37-3)26(32)28(33)31-18-21-11-5-4-10-20(21)14-23(31)29(34)38-13-7-9-19-8-6-12-30-17-19/h4-6,8,10-12,15-17,23H,7,9,13-14,18H2,1-3H3