4-[2-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(4-morpholinophenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-[4-(4-morpholinyl)phenyl]ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[4-keto-2-[(E)-2-(4-morpholinophenyl)vinyl]quinazolin-3-yl]benzoic acid Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=CC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H23N3O4/c31-26-23-3-1-2-4-24(23)28-25(30(26)22-12-8-20(9-13-22)27(32)33)14-7-19-5-10-21(11-6-19)29-15-17-34-18-16-29/h1-14H,15-18H2,(H,32,33)/b14-7+