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

Systemtic Name: 3-[bis[4-(2-methylpropyl)phenyl]methylamino]-2-indol-1-yl-4-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-3-[bis(4-isobutylphenyl)methylamino]-2-indol-1-yl-4-oxo-butanoic acid CAS Name: 3-[bis[4-(2-methylpropyl)phenyl]methylamino]-2-(1-indolyl)-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-3-[bis[4-(2-methylpropyl)phenyl]methylamino]-2-indol-1-yl-4-oxobutanoic acid Traditional Name: 2-benzyl-3-[bis(4-isobutylphenyl)methylamino]-2-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)NC(C=O)C(CC3=CC=CC=C3)(C(=O)O)N4C=CC5=CC=CC=C54

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)NC(C=O)C(CC3=CC=CC=C3)(C(=O)O)N4C=CC5=CC=CC=C54

InChI

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