2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]-3-(6-phenylmethoxypyridin-3-yl)propanoic acid

Systemtic Name: 2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]-3-(6-phenylmethoxypyridin-3-yl)propanoic acid Openeye Name: 3-(6-benzyloxy-3-pyridyl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoic acid CAS Name: 2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]-3-(6-phenylmethoxy-3-pyridinyl)propanoic acid IUPAC Name: 2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-3-(6-phenylmethoxypyridin-3-yl)propanoic acid Traditional Name: 3-(6-benzoxy-3-pyridyl)-2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propionic acid Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CN=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1N2CC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CN=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H31N5O5/c35-27(36)25(16-21-10-11-26(30-17-21)39-19-20-6-2-1-3-7-20)32-28(37)33-14-12-23(13-15-33)34-18-22-8-4-5-9-24(22)31-29(34)38/h1-11,17,23,25H,12-16,18-19H2,(H,31,38)(H,32,37)(H,35,36)