2-[2-oxidanylidene-4-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]-4H-quinazolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-4-phenyl-3-[1-(phenylmethyl)piperidin-4-yl]-4H-quinazolin-1-yl]ethanoic acid Openeye Name: 2-[3-(1-benzyl-4-piperidyl)-2-oxo-4-phenyl-4H-quinazolin-1-yl]acetic acid CAS Name: 2-[2-oxo-4-phenyl-3-[1-(phenylmethyl)-4-piperidinyl]-4H-quinazolin-1-yl]acetic acid IUPAC Name: 2-[3-(1-benzylpiperidin-4-yl)-2-oxo-4-phenyl-4H-quinazolin-1-yl]acetic acid Traditional Name: 2-[3-(1-benzyl-4-piperidyl)-2-keto-4-phenyl-4H-quinazolin-1-yl]acetic acid Formula: C28H29N3O3 MolecularWeight: 455.54816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(C3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C(C3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c32-26(33)20-30-25-14-8-7-13-24(25)27(22-11-5-2-6-12-22)31(28(30)34)23-15-17-29(18-16-23)19-21-9-3-1-4-10-21/h1-14,23,27H,15-20H2,(H,32,33)