methyl 4-[3-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]butanoate

Systemtic Name: methyl 4-[3-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]butanoate Openeye Name: methyl 4-[3-[2-(6-chloro-4-oxo-quinazolin-3-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]butanoate CAS Name: 4-[3-[2-(6-chloro-4-oxo-3-quinazolinyl)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]-2,5-dimethylpyrrol-1-yl]butanoate Traditional Name: 4-[3-[2-(6-chloro-4-keto-quinazolin-3-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]butyric acid methyl ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-13-9-16(14(2)25(13)8-4-5-20(27)29-3)19(26)11-24-12-23-18-7-6-15(22)10-17(18)21(24)28/h6-7,9-10,12H,4-5,8,11H2,1-3H3