3-[[1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[1-(6-methyl-4-phenyl-2-quinazolinyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[1-(6-methyl-4-phenyl-quinazolin-2-yl)isonipecotoyl]amino]benzoic acid Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCC(CC4)C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCC(CC4)C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C28H26N4O3/c1-18-10-11-24-23(16-18)25(19-6-3-2-4-7-19)31-28(30-24)32-14-12-20(13-15-32)26(33)29-22-9-5-8-21(17-22)27(34)35/h2-11,16-17,20H,12-15H2,1H3,(H,29,33)(H,34,35)