2-indol-1-yl-3-methyl-5,5-bis[4-(2-methylpropyl)phenyl]-2-(phenylcarbonyl)pentanoic acid

Systemtic Name: 2-indol-1-yl-3-methyl-5,5-bis[4-(2-methylpropyl)phenyl]-2-(phenylcarbonyl)pentanoic acid Openeye Name: 2-benzoyl-2-indol-1-yl-5,5-bis(4-isobutylphenyl)-3-methyl-pentanoic acid CAS Name: 2-benzoyl-2-(1-indolyl)-3-methyl-5,5-bis[4-(2-methylpropyl)phenyl]pentanoic acid IUPAC Name: 2-benzoyl-2-indol-1-yl-3-methyl-5,5-bis[4-(2-methylpropyl)phenyl]pentanoic acid Traditional Name: 2-benzoyl-2-indol-1-yl-5,5-bis(4-isobutylphenyl)-3-methyl-valeric acid Formula: C41H45NO3 MolecularWeight: 599.8009

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CC(C)C(C(=O)C2=CC=CC=C2)(C(=O)O)N3C=CC4=CC=CC=C43)C5=CC=C(C=C5)CC(C)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CC(C)C(C(=O)C2=CC=CC=C2)(C(=O)O)N3C=CC4=CC=CC=C43)C5=CC=C(C=C5)CC(C)C

InChI

InChI=1S/C41H45NO3/c1-28(2)25-31-15-19-33(20-16-31)37(34-21-17-32(18-22-34)26-29(3)4)27-30(5)41(40(44)45,39(43)36-12-7-6-8-13-36)42-24-23-35-11-9-10-14-38(35)42/h6-24,28-30,37H,25-27H2,1-5H3,(H,44,45)