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

Systemtic Name: 4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C20H22NO4- MolecularWeight: 340.39298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)C2=C(NC(=C2C)C(=O)[O-])C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(NC(=C2C)C(=O)[O-])C

InChI

InChI=1S/C20H23NO4/c1-4-5-12-25-16-9-6-15(7-10-16)8-11-17(22)18-13(2)19(20(23)24)21-14(18)3/h6-11,21H,4-5,12H2,1-3H3,(H,23,24)/p-1/b11-8+