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

Systemtic Name: 4-[3-[3-[1-[4-(2-methylpropyl)phenyl]propyl-(phenylmethyl)amino]phenyl]carbonylindol-1-yl]butanoic acid Openeye Name: 4-[3-[3-[benzyl-[1-(4-isobutylphenyl)propyl]amino]benzoyl]indol-1-yl]butanoic acid CAS Name: 4-[3-[[3-[1-[4-(2-methylpropyl)phenyl]propyl-(phenylmethyl)amino]phenyl]-oxomethyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-[3-[benzyl-[1-[4-(2-methylpropyl)phenyl]propyl]amino]benzoyl]indol-1-yl]butanoic acid Traditional Name: 4-[3-[3-[benzyl-[1-(4-isobutylphenyl)propyl]amino]benzoyl]indol-1-yl]butyric acid Formula: C39H42N2O3 MolecularWeight: 586.76238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H42N2O3/c1-4-36(31-21-19-29(20-22-31)24-28(2)3)41(26-30-12-6-5-7-13-30)33-15-10-14-32(25-33)39(44)35-27-40(23-11-18-38(42)43)37-17-9-8-16-34(35)37/h5-10,12-17,19-22,25,27-28,36H,4,11,18,23-24,26H2,1-3H3,(H,42,43)