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

Systemtic Name: 4-[3-[[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]methyl]indol-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[[3-[bis(4-isobutylphenyl)methylamino]phenyl]methyl]indol-1-yl]-4-oxo-butanoic acid CAS Name: 4-[3-[[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]methyl]-1-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[3-[[3-[bis[4-(2-methylpropyl)phenyl]methylamino]phenyl]methyl]indol-1-yl]-4-oxobutanoic acid Traditional Name: 4-[3-[3-[bis(4-isobutylphenyl)methylamino]benzyl]indol-1-yl]-4-keto-butyric acid Formula: C40H44N2O3 MolecularWeight: 600.78896

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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)C(=O)CCC(=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)C(=O)CCC(=O)O

InChI

InChI=1S/C40H44N2O3/c1-27(2)22-29-12-16-32(17-13-29)40(33-18-14-30(15-19-33)23-28(3)4)41-35-9-7-8-31(25-35)24-34-26-42(38(43)20-21-39(44)45)37-11-6-5-10-36(34)37/h5-19,25-28,40-41H,20-24H2,1-4H3,(H,44,45)