3-[4-oxidanylidene-2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[4-oxidanylidene-2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(4-isopropoxyphenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[4-oxo-2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]-3-quinazolinyl]propanoic acid IUPAC Name: 3-[4-oxo-2-[(E)-2-(4-propan-2-yloxyphenyl)ethenyl]quinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(4-isopropoxyphenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

InChI

InChI=1S/C22H22N2O4/c1-15(2)28-17-10-7-16(8-11-17)9-12-20-23-19-6-4-3-5-18(19)22(27)24(20)14-13-21(25)26/h3-12,15H,13-14H2,1-2H3,(H,25,26)/b12-9+