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

Systemtic Name: methyl 3-[[4-(2-oxidanylidene-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCC(CC2)N3C(C4=CC=CC=C4NC3=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCC(CC2)N3C(C4=CC=CC=C4NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c1-34-27(32)22-11-7-8-20(18-22)19-30-16-14-23(15-17-30)31-26(21-9-3-2-4-10-21)24-12-5-6-13-25(24)29-28(31)33/h2-13,18,23,26H,14-17,19H2,1H3,(H,29,33)