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

Systemtic Name: 3-[[4-(2-oxidanylidene-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[4-(2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-(2-keto-4-phenyl-1,4-dihydroquinazolin-3-yl)piperidino]methyl]benzoic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3/c31-26(32)21-10-6-7-19(17-21)18-29-15-13-22(14-16-29)30-25(20-8-2-1-3-9-20)23-11-4-5-12-24(23)28-27(30)33/h1-12,17,22,25H,13-16,18H2,(H,28,33)(H,31,32)