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

Systemtic Name: ethyl 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C(=CC2=C(N(C(=C2)C)C(C)C)C)C#N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-8-28-22(27)20-15(6)24-14(5)19(20)21(26)18(11-23)10-17-9-13(4)25(12(2)3)16(17)7/h9-10,12,24H,8H2,1-7H3/b18-10+