methyl (E)-3-(5-hexyl-1H-pyrrol-3-yl)prop-2-enoate

Systemtic Name: methyl (E)-3-(5-hexyl-1H-pyrrol-3-yl)prop-2-enoate Openeye Name: methyl (E)-3-(5-hexyl-1H-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(5-hexyl-1H-pyrrol-3-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(5-hexyl-1H-pyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(5-hexyl-1H-pyrrol-3-yl)acrylic acid methyl ester Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CN1)C=CC(=O)OC

Isomeric SMILES

CCCCCCC1=CC(=CN1)/C=C/C(=O)OC

InChI

InChI=1S/C14H21NO2/c1-3-4-5-6-7-13-10-12(11-15-13)8-9-14(16)17-2/h8-11,15H,3-7H2,1-2H3/b9-8+