4-[3-[4-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]phenyl]carbonylindol-1-yl]butanoic acid

Systemtic Name: 4-[3-[4-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]phenyl]carbonylindol-1-yl]butanoic acid Openeye Name: 4-[3-[4-[2,2-bis(4-isobutylphenyl)ethyl]benzoyl]indol-1-yl]butanoic acid CAS Name: 4-[3-[[4-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]phenyl]-oxomethyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-[4-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]benzoyl]indol-1-yl]butanoic acid Traditional Name: 4-[3-[4-[2,2-bis(4-isobutylphenyl)ethyl]benzoyl]indol-1-yl]butyric acid Formula: C41H45NO3 MolecularWeight: 599.8009

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C(=O)C3=CN(C4=CC=CC=C43)CCCC(=O)O)C5=CC=C(C=C5)CC(C)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C(=O)C3=CN(C4=CC=CC=C43)CCCC(=O)O)C5=CC=C(C=C5)CC(C)C

InChI

InChI=1S/C41H45NO3/c1-28(2)24-30-11-17-33(18-12-30)37(34-19-13-31(14-20-34)25-29(3)4)26-32-15-21-35(22-16-32)41(45)38-27-42(23-7-10-40(43)44)39-9-6-5-8-36(38)39/h5-6,8-9,11-22,27-29,37H,7,10,23-26H2,1-4H3,(H,43,44)