[2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CN2)CCCOC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC=CN2)CCCOC)C

InChI

InChI=1S/C18H22N4O4/c1-12-13(2)22(8-5-9-25-3)17(14(12)10-19)21-16(23)11-26-18(24)15-6-4-7-20-15/h4,6-7,20H,5,8-9,11H2,1-3H3,(H,21,23)