methyl 6-[2,5-dimethyl-3-[2-(4-oxidanylidenecinnolin-1-yl)ethanoyl]pyrrol-1-yl]hexanoate

Systemtic Name: methyl 6-[2,5-dimethyl-3-[2-(4-oxidanylidenecinnolin-1-yl)ethanoyl]pyrrol-1-yl]hexanoate Openeye Name: methyl 6-[2,5-dimethyl-3-[2-(4-oxocinnolin-1-yl)acetyl]pyrrol-1-yl]hexanoate CAS Name: 6-[2,5-dimethyl-3-[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]-1-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[2,5-dimethyl-3-[2-(4-oxocinnolin-1-yl)acetyl]pyrrol-1-yl]hexanoate Traditional Name: 6-[3-[2-(4-ketocinnolin-1-yl)acetyl]-2,5-dimethyl-pyrrol-1-yl]hexanoic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCCCC(=O)OC)C)C(=O)CN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

CC1=CC(=C(N1CCCCCC(=O)OC)C)C(=O)CN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C23H27N3O4/c1-16-13-19(17(2)25(16)12-8-4-5-11-23(29)30-3)22(28)15-26-20-10-7-6-9-18(20)21(27)14-24-26/h6-7,9-10,13-14H,4-5,8,11-12,15H2,1-3H3