methyl 2-[2-(pyridin-3-ylmethoxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[2-(pyridin-3-ylmethoxy)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-[2-(3-pyridylmethoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[oxo-[2-(3-pyridinylmethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-[2-(3-pyridylmethoxy)benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)C(=O)C3=CC=CC=C3OCC4=CN=CC=C4)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)C(=O)C3=CC=CC=C3OCC4=CN=CC=C4)C=C1

InChI

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