(E)-3-[4-(phenylcarbonyl)-1-propan-2-yl-pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(phenylcarbonyl)-1-propan-2-yl-pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-(4-benzoyl-1-isopropyl-pyrrol-2-yl)prop-2-enoic acid CAS Name: (E)-3-(4-benzoyl-1-propan-2-yl-2-pyrrolyl)-2-propenoic acid IUPAC Name: (E)-3-(4-benzoyl-1-propan-2-ylpyrrol-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-benzoyl-1-isopropyl-pyrrol-2-yl)acrylic acid Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C=CC(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)N1C=C(C=C1/C=C/C(=O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H17NO3/c1-12(2)18-11-14(10-15(18)8-9-16(19)20)17(21)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,19,20)/b9-8+