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

Systemtic Name: ethyl 4-[(E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(3-ethoxy-4-propargyloxy-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=C(NC(=C2C)C(=O)OCC)C)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=C(NC(=C2C)C(=O)OCC)C)OCC#C

InChI

InChI=1S/C23H25NO5/c1-6-13-29-19-12-10-17(14-20(19)27-7-2)9-11-18(25)21-15(4)22(24-16(21)5)23(26)28-8-3/h1,9-12,14,24H,7-8,13H2,2-5H3/b11-9+