methyl 2-(2-piperidin-1-ylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-(2-piperidin-1-ylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-[2-(1-piperidyl)benzoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[oxo-[2-(1-piperidinyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-piperidin-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-(2-piperidinobenzoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=CC=C3N4CCCCC4

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C23H26N2O3/c1-28-23(27)19-10-7-8-17-16-25(15-12-18(17)19)22(26)20-9-3-4-11-21(20)24-13-5-2-6-14-24/h3-4,7-11H,2,5-6,12-16H2,1H3