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

Systemtic Name: ethyl 4-[(E)-3-(3-butoxy-4-methoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-(3-butoxy-4-methoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(3-butoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(3-butoxy-4-methoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(3-butoxy-4-methoxy-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5/c1-6-8-13-29-20-14-17(10-12-19(20)27-5)9-11-18(25)21-15(3)22(24-16(21)4)23(26)28-7-2/h9-12,14,24H,6-8,13H2,1-5H3/b11-9+