butyl 4-[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carbonyl)amino]benzoate CAS Name: 4-[[[4-cyano-2-methyl-5-(1-pyrrolyl)-3-furanyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carbonyl)amino]benzoate Traditional Name: 4-[(4-cyano-2-methyl-5-pyrrol-1-yl-3-furoyl)amino]benzoic acid butyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

InChI

InChI=1S/C22H21N3O4/c1-3-4-13-28-22(27)16-7-9-17(10-8-16)24-20(26)19-15(2)29-21(18(19)14-23)25-11-5-6-12-25/h5-12H,3-4,13H2,1-2H3,(H,24,26)