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

Systemtic Name: methyl 4-[[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-yl)carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carbonyl)-methyl-amino]methyl]benzoate CAS Name: 4-[[[[4-cyano-2-methyl-5-(1-pyrrolyl)-3-furanyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carbonyl)-methylamino]methyl]benzoate Traditional Name: 4-[[(4-cyano-2-methyl-5-pyrrol-1-yl-3-furoyl)-methyl-amino]methyl]benzoic acid methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N(C)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N(C)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O4/c1-14-18(17(12-22)20(28-14)24-10-4-5-11-24)19(25)23(2)13-15-6-8-16(9-7-15)21(26)27-3/h4-11H,13H2,1-3H3