methyl 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]benzoate CAS Name: 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]oxymethyl]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]oxymethyl]benzoic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O4/c1-14-10-18(15(2)24(14)20-8-9-20)11-19(12-23)22(26)28-13-16-4-6-17(7-5-16)21(25)27-3/h4-7,10-11,20H,8-9,13H2,1-3H3/b19-11+