(E)-3-[1-(2,6-dimethylphenyl)pyrrol-3-yl]but-2-enoic acid

Systemtic Name: (E)-3-[1-(2,6-dimethylphenyl)pyrrol-3-yl]but-2-enoic acid Openeye Name: (E)-3-[1-(2,6-dimethylphenyl)pyrrol-3-yl]but-2-enoic acid CAS Name: (E)-3-[1-(2,6-dimethylphenyl)-3-pyrrolyl]-2-butenoic acid IUPAC Name: (E)-3-[1-(2,6-dimethylphenyl)pyrrol-3-yl]but-2-enoic acid Traditional Name: (E)-3-[1-(2,6-dimethylphenyl)pyrrol-3-yl]but-2-enoic acid Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C=CC(=C2)C(=CC(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C=CC(=C2)/C(=C/C(=O)O)/C

InChI

InChI=1S/C16H17NO2/c1-11-5-4-6-12(2)16(11)17-8-7-14(10-17)13(3)9-15(18)19/h4-10H,1-3H3,(H,18,19)/b13-9+