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

Systemtic Name: ethyl 3,5-dimethyl-4-[(E)-3-(4-propoxyphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[(E)-3-(4-propoxyphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(E)-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(E)-3-(4-propoxyphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(E)-3-(4-propoxyphenyl)acryloyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC(=O)C2=C(NC(=C2C)C(=O)OCC)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(NC(=C2C)C(=O)OCC)C

InChI

InChI=1S/C21H25NO4/c1-5-13-26-17-10-7-16(8-11-17)9-12-18(23)19-14(3)20(22-15(19)4)21(24)25-6-2/h7-12,22H,5-6,13H2,1-4H3/b12-9+