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

Systemtic Name: 4-[3-[3-[bis[4-(2-methylpropyl)phenyl]methyl-(phenylmethyl)amino]phenyl]carbonylindol-1-yl]butanoic acid Openeye Name: 4-[3-[3-[benzyl-[bis(4-isobutylphenyl)methyl]amino]benzoyl]indol-1-yl]butanoic acid CAS Name: 4-[3-[[3-[bis[4-(2-methylpropyl)phenyl]methyl-(phenylmethyl)amino]phenyl]-oxomethyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-[3-[benzyl-[bis[4-(2-methylpropyl)phenyl]methyl]amino]benzoyl]indol-1-yl]butanoic acid Traditional Name: 4-[3-[3-[benzyl-[bis(4-isobutylphenyl)methyl]amino]benzoyl]indol-1-yl]butyric acid Formula: C47H50N2O3 MolecularWeight: 690.9115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)N(CC3=CC=CC=C3)C4=CC=CC(=C4)C(=O)C5=CN(C6=CC=CC=C65)CCCC(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)N(CC3=CC=CC=C3)C4=CC=CC(=C4)C(=O)C5=CN(C6=CC=CC=C65)CCCC(=O)O

InChI

InChI=1S/C47H50N2O3/c1-33(2)28-35-19-23-38(24-20-35)46(39-25-21-36(22-26-39)29-34(3)4)49(31-37-12-6-5-7-13-37)41-15-10-14-40(30-41)47(52)43-32-48(27-11-18-45(50)51)44-17-9-8-16-42(43)44/h5-10,12-17,19-26,30,32-34,46H,11,18,27-29,31H2,1-4H3,(H,50,51)