(E)-3-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)acrylic acid Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C=CC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)/C=C/C(=O)O

InChI

InChI=1S/C18H21NO2/c1-12(2)15-5-8-17(9-6-15)19-13(3)11-16(14(19)4)7-10-18(20)21/h5-12H,1-4H3,(H,20,21)/b10-7+