6-[1-[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]carbonylindol-3-yl]hexanoic acid

Systemtic Name: 6-[1-[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]carbonylindol-3-yl]hexanoic acid Openeye Name: 6-[1-[3-[bis(4-isobutylphenyl)methylamino]benzoyl]indol-3-yl]hexanoic acid CAS Name: 6-[1-[[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]-oxomethyl]-3-indolyl]hexanoic acid IUPAC Name: 6-[1-[3-[bis[4-(2-methylpropyl)phenyl]methylamino]benzoyl]indol-3-yl]hexanoic acid Traditional Name: 6-[1-[3-[bis(4-isobutylphenyl)methylamino]benzoyl]indol-3-yl]hexanoic acid Formula: C42H48N2O3 MolecularWeight: 628.84212

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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)NC3=CC=CC(=C3)C(=O)N4C=C(C5=CC=CC=C54)CCCCCC(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)NC3=CC=CC(=C3)C(=O)N4C=C(C5=CC=CC=C54)CCCCCC(=O)O

InChI

InChI=1S/C42H48N2O3/c1-29(2)25-31-17-21-33(22-18-31)41(34-23-19-32(20-24-34)26-30(3)4)43-37-13-10-12-35(27-37)42(47)44-28-36(11-6-5-7-16-40(45)46)38-14-8-9-15-39(38)44/h8-10,12-15,17-24,27-30,41,43H,5-7,11,16,25-26H2,1-4H3,(H,45,46)