3-[2-[(E)-2-(4-methoxy-3-phenylmethoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(E)-2-(4-methoxy-3-phenylmethoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(3-benzyloxy-4-methoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(3-benzoxy-4-methoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O5/c1-33-23-13-11-19(17-24(23)34-18-20-7-3-2-4-8-20)12-14-25-28-22-10-6-5-9-21(22)27(32)29(25)16-15-26(30)31/h2-14,17H,15-16,18H2,1H3,(H,30,31)/b14-12+