methyl 4-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]oxymethyl]benzoate CAS Name: 4-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]oxymethyl]benzoate Traditional Name: 4-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]oxymethyl]benzoic acid methyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23NO4/c1-14-12-18(15(2)22(14)19-9-10-19)8-11-20(23)26-13-16-4-6-17(7-5-16)21(24)25-3/h4-8,11-12,19H,9-10,13H2,1-3H3/b11-8+