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

Systemtic Name: 4-[3-[[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]methyl]indol-1-yl]butanoic acid Openeye Name: 4-[3-[[3-[bis(4-isobutylphenyl)methylamino]phenyl]methyl]indol-1-yl]butanoic acid CAS Name: 4-[3-[[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]methyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-[[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]methyl]indol-1-yl]butanoic acid Traditional Name: 4-[3-[3-[bis(4-isobutylphenyl)methylamino]benzyl]indol-1-yl]butyric acid Formula: C40H46N2O2 MolecularWeight: 586.80544

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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)CC4=CN(C5=CC=CC=C54)CCCC(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)NC3=CC=CC(=C3)CC4=CN(C5=CC=CC=C54)CCCC(=O)O

InChI

InChI=1S/C40H46N2O2/c1-28(2)23-30-14-18-33(19-15-30)40(34-20-16-31(17-21-34)24-29(3)4)41-36-10-7-9-32(26-36)25-35-27-42(22-8-13-39(43)44)38-12-6-5-11-37(35)38/h5-7,9-12,14-21,26-29,40-41H,8,13,22-25H2,1-4H3,(H,43,44)