[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C22H21N3O5/c1-14(26)15-6-5-7-16(12-15)23-20(27)13-30-21(28)11-10-19-24-18-9-4-3-8-17(18)22(29)25(19)2/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)