methyl 2-[2-(pyridin-3-ylmethoxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-8-carboxylate

Systemtic Name: methyl 2-[2-(pyridin-3-ylmethoxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-8-carboxylate Openeye Name: methyl 2-[2-(3-pyridylmethoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate CAS Name: 2-[oxo-[2-(3-pyridinylmethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-8-carboxylate Traditional Name: 2-[2-(3-pyridylmethoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid methyl ester Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CN(CCC2=CC=C1)C(=O)C3=CC=CC=C3OCC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=C2CN(CCC2=CC=C1)C(=O)C3=CC=CC=C3OCC4=CN=CC=C4

InChI

InChI=1S/C24H22N2O4/c1-29-24(28)19-9-4-7-18-11-13-26(15-21(18)19)23(27)20-8-2-3-10-22(20)30-16-17-6-5-12-25-14-17/h2-10,12,14H,11,13,15-16H2,1H3