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

Systemtic Name: 4-[(E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C21H20NO5- MolecularWeight: 366.3872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-5-11-27-17-10-8-15(12-18(17)26-6-2)7-9-16(23)19-13(3)20(21(24)25)22-14(19)4/h1,7-10,12,22H,6,11H2,2-4H3,(H,24,25)/p-1/b9-7+