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

Systemtic Name: ethyl 4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(4-butoxyphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(4-butoxyphenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)C2=C(NC(=C2C)C(=O)OCC)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(NC(=C2C)C(=O)OCC)C

InChI

InChI=1S/C22H27NO4/c1-5-7-14-27-18-11-8-17(9-12-18)10-13-19(24)20-15(3)21(23-16(20)4)22(25)26-6-2/h8-13,23H,5-7,14H2,1-4H3/b13-10+