5-[[1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidin-4-yl]carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidin-4-yl]carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[[1-(6-methyl-4-phenyl-2-quinazolinyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[1-(6-methyl-4-phenyl-quinazolin-2-yl)isonipecotoyl]amino]benzoic acid Formula: C28H26N4O4 MolecularWeight: 482.53044

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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(=C(C=C5)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H26N4O4/c1-17-7-9-23-21(15-17)25(18-5-3-2-4-6-18)31-28(30-23)32-13-11-19(12-14-32)26(34)29-20-8-10-24(33)22(16-20)27(35)36/h2-10,15-16,19,33H,11-14H2,1H3,(H,29,34)(H,35,36)