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

Systemtic Name: 4-[3-[3-[bis[[4-(2-methylpropyl)phenyl]methyl]amino]phenyl]carbonylindol-1-yl]butanoic acid Openeye Name: 4-[3-[3-[bis[(4-isobutylphenyl)methyl]amino]benzoyl]indol-1-yl]butanoic acid CAS Name: 4-[3-[[3-[bis[[4-(2-methylpropyl)phenyl]methyl]amino]phenyl]-oxomethyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-[3-[bis[[4-(2-methylpropyl)phenyl]methyl]amino]benzoyl]indol-1-yl]butanoic acid Traditional Name: 4-[3-[3-[bis(4-isobutylbenzyl)amino]benzoyl]indol-1-yl]butyric acid Formula: C41H46N2O3 MolecularWeight: 614.81554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)CC(C)C)C3=CC=CC(=C3)C(=O)C4=CN(C5=CC=CC=C54)CCCC(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)CC(C)C)C3=CC=CC(=C3)C(=O)C4=CN(C5=CC=CC=C54)CCCC(=O)O

InChI

InChI=1S/C41H46N2O3/c1-29(2)23-31-14-18-33(19-15-31)26-43(27-34-20-16-32(17-21-34)24-30(3)4)36-10-7-9-35(25-36)41(46)38-28-42(22-8-13-40(44)45)39-12-6-5-11-37(38)39/h5-7,9-12,14-21,25,28-30H,8,13,22-24,26-27H2,1-4H3,(H,44,45)