methyl 1-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-phenyl-isonipecotic acid methyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H28N2O4/c1-19(29)28-15-12-20-8-6-7-11-22(20)23(28)18-24(30)27-16-13-26(14-17-27,25(31)32-2)21-9-4-3-5-10-21/h3-12,15,23H,13-14,16-18H2,1-2H3