(E)-2-indolizin-3-yl-3-methyl-5-[4-(2-methylpropyl)phenyl]-2-(phenylcarbonyl)pent-4-enoic acid

Systemtic Name: (E)-2-indolizin-3-yl-3-methyl-5-[4-(2-methylpropyl)phenyl]-2-(phenylcarbonyl)pent-4-enoic acid Openeye Name: (E)-2-benzoyl-2-indolizin-3-yl-5-(4-isobutylphenyl)-3-methyl-pent-4-enoic acid CAS Name: (E)-2-benzoyl-2-(3-indolizinyl)-3-methyl-5-[4-(2-methylpropyl)phenyl]-4-pentenoic acid IUPAC Name: (E)-2-benzoyl-2-indolizin-3-yl-3-methyl-5-[4-(2-methylpropyl)phenyl]pent-4-enoic acid Traditional Name: (E)-2-benzoyl-2-indolizin-3-yl-5-(4-isobutylphenyl)-3-methyl-pent-4-enoic acid Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C=CC(C)C(C2=CC=C3N2C=CC=C3)(C(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)/C=C/C(C)C(C2=CC=C3N2C=CC=C3)(C(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H31NO3/c1-22(2)21-25-16-14-24(15-17-25)13-12-23(3)31(30(34)35,29(33)26-9-5-4-6-10-26)28-19-18-27-11-7-8-20-32(27)28/h4-20,22-23H,21H2,1-3H3,(H,34,35)/b13-12+