methyl (E)-4-methoxy-3-[1-(4-methoxyphenyl)-2-phenyl-2H-quinazolin-3-ium-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: methyl (E)-4-methoxy-3-[1-(4-methoxyphenyl)-2-phenyl-2H-quinazolin-3-ium-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-4-hydroxy-4-methoxy-3-[1-(4-methoxyphenyl)-2-phenyl-2H-quinazolin-3-ium-3-yl]-2-oxo-but-3-enoate CAS Name: (E)-4-hydroxy-4-methoxy-3-[1-(4-methoxyphenyl)-2-phenyl-2H-quinazolin-3-ium-3-yl]-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-hydroxy-4-methoxy-3-[1-(4-methoxyphenyl)-2-phenyl-2H-quinazolin-3-ium-3-yl]-2-oxobut-3-enoate Traditional Name: (E)-4-hydroxy-2-keto-4-methoxy-3-[1-(4-methoxyphenyl)-2-phenyl-2H-quinazolin-3-ium-3-yl]but-3-enoic acid methyl ester Formula: C27H25N2O6+ MolecularWeight: 473.4972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C([N+](=CC3=CC=CC=C32)C(=C(O)OC)C(=O)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C([N+](=CC3=CC=CC=C32)/C(=C(\O)/OC)/C(=O)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O6/c1-33-21-15-13-20(14-16-21)29-22-12-8-7-11-19(22)17-28(25(29)18-9-5-4-6-10-18)23(26(31)34-2)24(30)27(32)35-3/h4-17,25H,1-3H3/p+1