2-[4-[[2-butyl-6-(methoxycarbonylamino)-4-oxidanylidene-quinazolin-3-yl]methyl]phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[[2-butyl-6-(methoxycarbonylamino)-4-oxidanylidene-quinazolin-3-yl]methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[2-butyl-6-(methoxycarbonylamino)-4-oxo-quinazolin-3-yl]methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[[2-butyl-6-(methoxycarbonylamino)-4-oxo-3-quinazolinyl]methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[[2-butyl-6-(methoxycarbonylamino)-4-oxoquinazolin-3-yl]methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[[2-butyl-6-(carbomethoxyamino)-4-keto-quinazolin-3-yl]methyl]phenoxy]-2-phenyl-acetic acid Formula: C29H29N3O6 MolecularWeight: 515.55706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O6/c1-3-4-10-25-31-24-16-13-21(30-29(36)37-2)17-23(24)27(33)32(25)18-19-11-14-22(15-12-19)38-26(28(34)35)20-8-6-5-7-9-20/h5-9,11-17,26H,3-4,10,18H2,1-2H3,(H,30,36)(H,34,35)