methyl 5-[(2S)-2-[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2S)-2-[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[(E)-2-cyano-3-(3-methoxyphenyl)-1-oxoprop-2-enoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(E)-2-cyano-3-(3-methoxyphenyl)acryloyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)C(=CC2=CC(=CC=C2)OC)C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC(=O)/C(=C/C2=CC(=CC=C2)OC)/C#N

InChI

InChI=1S/C22H22N2O6/c1-12-18(22(27)29-5)13(2)24-19(12)20(25)14(3)30-21(26)16(11-23)9-15-7-6-8-17(10-15)28-4/h6-10,14,24H,1-5H3/b16-9+/t14-/m0/s1