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

Systemtic Name: (E)-3-[2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(3-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[2,5-dimethyl-1-(3-propan-2-ylphenyl)-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-(1-m-cumenyl-2,5-dimethyl-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=CC(=C2)C(C)C)C)C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO2/c1-12(2)15-6-5-7-17(11-15)19-13(3)10-16(14(19)4)8-9-18(20)21/h5-12H,1-4H3,(H,20,21)/b9-8+