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

Systemtic Name: 4-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 4-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(4-butoxy-3-methoxy-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Formula: C21H24NO5- MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-5-6-11-27-17-10-8-15(12-18(17)26-4)7-9-16(23)19-13(2)20(21(24)25)22-14(19)3/h7-10,12,22H,5-6,11H2,1-4H3,(H,24,25)/p-1/b9-7+