(phenylmethyl) 3-[[4-(2-oxidanylidene-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzoate

Systemtic Name: (phenylmethyl) 3-[[4-(2-oxidanylidene-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzoate Openeye Name: benzyl 3-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)-1-piperidyl]methyl]benzoate CAS Name: 3-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzoate Traditional Name: 3-[[4-(2-keto-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidino]methyl]benzoic acid benzyl ester Formula: C34H33N3O3 MolecularWeight: 531.64412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4)CC5=CC=CC(=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1N2C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4)CC5=CC=CC(=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C34H33N3O3/c38-33(40-24-25-10-3-1-4-11-25)28-15-9-12-26(22-28)23-36-20-18-29(19-21-36)37-32(27-13-5-2-6-14-27)30-16-7-8-17-31(30)35-34(37)39/h1-17,22,29,32H,18-21,23-24H2,(H,35,39)