2-[4-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenyl]-2-phenylmethoxy-but-3-enoic acid

Systemtic Name: 2-[4-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenyl]-2-phenylmethoxy-but-3-enoic acid Openeye Name: 2-benzyloxy-2-[4-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]phenyl]but-3-enoic acid CAS Name: 2-[4-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]phenyl]-2-phenylmethoxy-3-butenoic acid IUPAC Name: 2-[4-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]phenyl]-2-phenylmethoxybut-3-enoic acid Traditional Name: 2-benzoxy-2-[4-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]phenyl]but-3-enoic acid Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC=C(C=C3)C(C=C)(C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC=C(C=C3)C(C=C)(C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H32N2O4/c1-4-6-12-28-32-27-18-13-22(3)19-26(27)29(34)33(28)20-23-14-16-25(17-15-23)31(5-2,30(35)36)37-21-24-10-8-7-9-11-24/h5,7-11,13-19H,2,4,6,12,20-21H2,1,3H3,(H,35,36)