methyl 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxybenzoate

Systemtic Name: methyl 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxybenzoate Openeye Name: methyl 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxybenzoate CAS Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]oxybenzoate Traditional Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]oxybenzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C21H22N2O4/c1-5-10-23-14(2)11-17(15(23)3)12-18(13-22)21(25)27-19-8-6-16(7-9-19)20(24)26-4/h6-9,11-12H,5,10H2,1-4H3/b18-12+