[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl] ester Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20ClN3O5/c1-13-9-17(18(29-2)10-15(13)22)24-19(26)11-30-20(27)7-8-25-12-23-16-6-4-3-5-14(16)21(25)28/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,24,26)