4-[2-(2-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-(2-bromanyl-5-ethoxy-4-propan-2-yloxy-phenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzoic acid Openeye Name: 4-[2-(2-bromo-5-ethoxy-4-isopropoxy-phenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzoic acid CAS Name: 4-[2-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzoic acid IUPAC Name: 4-[2-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-(2-bromo-5-ethoxy-4-isopropoxy-phenyl)-4-keto-1,2-dihydroquinazolin-3-yl]benzoic acid Formula: C26H25BrN2O5 MolecularWeight: 525.3911

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)Br)OC(C)C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)Br)OC(C)C

InChI

InChI=1S/C26H25BrN2O5/c1-4-33-22-13-19(20(27)14-23(22)34-15(2)3)24-28-21-8-6-5-7-18(21)25(30)29(24)17-11-9-16(10-12-17)26(31)32/h5-15,24,28H,4H2,1-3H3,(H,31,32)