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

Systemtic Name: methyl 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]benzoate Openeye Name: methyl 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]benzoate CAS Name: 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]oxymethyl]benzoate Traditional Name: 3-[[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]oxymethyl]benzoic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=CC=CC(=C2)C(=O)OC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=CC=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C22H24N2O4/c1-5-9-24-15(2)10-19(16(24)3)12-20(13-23)22(26)28-14-17-7-6-8-18(11-17)21(25)27-4/h6-8,10-12H,5,9,14H2,1-4H3/b20-12+