3-[4-[(Z)-2-chloranyl-2-(7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]phenoxy]propanoic acid

Systemtic Name: 3-[4-[(Z)-2-chloranyl-2-(7-methoxycarbonyl-4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]phenoxy]propanoic acid Openeye Name: 3-[4-[(Z)-2-chloro-2-(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)vinyl]phenoxy]propanoic acid CAS Name: 3-[4-[(Z)-2-chloro-2-(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)ethenyl]phenoxy]propanoic acid IUPAC Name: 3-[4-[(Z)-2-chloro-2-(7-methoxycarbonyl-4-oxo-1H-quinazolin-2-yl)ethenyl]phenoxy]propanoic acid Traditional Name: 3-[4-[(Z)-2-(7-carbomethoxy-4-keto-1H-quinazolin-2-yl)-2-chloro-vinyl]phenoxy]propionic acid Formula: C21H17ClN2O6 MolecularWeight: 428.82248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C(=CC3=CC=C(C=C3)OCCC(=O)O)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)/C(=C/C3=CC=C(C=C3)OCCC(=O)O)/Cl

InChI

InChI=1S/C21H17ClN2O6/c1-29-21(28)13-4-7-15-17(11-13)23-19(24-20(15)27)16(22)10-12-2-5-14(6-3-12)30-9-8-18(25)26/h2-7,10-11H,8-9H2,1H3,(H,25,26)(H,23,24,27)/b16-10-