4-[1-(6-chloranyl-4-phenyl-quinazolin-2-yl)-5-methoxycarbonyl-indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(6-chloranyl-4-phenyl-quinazolin-2-yl)-5-methoxycarbonyl-indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-(6-chloro-4-phenyl-quinazolin-2-yl)-5-methoxycarbonyl-indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[1-(6-chloro-4-phenyl-2-quinazolinyl)-5-methoxycarbonyl-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[1-(6-chloro-4-phenylquinazolin-2-yl)-5-methoxycarbonylindol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-carbomethoxy-1-(6-chloro-4-phenyl-quinazolin-2-yl)indol-3-yl]-4-keto-butyric acid Formula: C28H20ClN3O5 MolecularWeight: 513.9285

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2C(=O)CCC(=O)O)C3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2C(=O)CCC(=O)O)C3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C28H20ClN3O5/c1-37-27(36)17-7-10-23-19(13-17)21(24(33)11-12-25(34)35)15-32(23)28-30-22-9-8-18(29)14-20(22)26(31-28)16-5-3-2-4-6-16/h2-10,13-15H,11-12H2,1H3,(H,34,35)