methyl 4-[2,5-dimethyl-3-[2-(4-oxidanylidenecinnolin-1-yl)ethanoyl]pyrrol-1-yl]butanoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(4-oxidanylidenecinnolin-1-yl)ethanoyl]pyrrol-1-yl]butanoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(4-oxocinnolin-1-yl)acetyl]pyrrol-1-yl]butanoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(4-oxocinnolin-1-yl)acetyl]pyrrol-1-yl]butanoate Traditional Name: 4-[3-[2-(4-ketocinnolin-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]butyric acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)CN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)CN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C21H23N3O4/c1-14-11-17(15(2)23(14)10-6-9-21(27)28-3)20(26)13-24-18-8-5-4-7-16(18)19(25)12-22-24/h4-5,7-8,11-12H,6,9-10,13H2,1-3H3