ethyl 5-[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-1-oxo-3-(2-prop-2-ynoxyphenyl)prop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(2-prop-2-ynoxyphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-(2-propargyloxyphenyl)acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CC=CC=C2OCC#C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CC=CC=C2OCC#C)/C#N)C

InChI

InChI=1S/C22H20N2O4/c1-5-11-28-18-10-8-7-9-16(18)12-17(13-23)21(25)20-14(3)19(15(4)24-20)22(26)27-6-2/h1,7-10,12,24H,6,11H2,2-4H3/b17-12+