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

Systemtic Name: 3-[bis[3-(2-methylpropyl)phenyl]methylamino]-2-indol-1-yl-2-(phenylcarbonyl)butanoic acid Openeye Name: 2-benzoyl-3-[bis(3-isobutylphenyl)methylamino]-2-indol-1-yl-butanoic acid CAS Name: 2-benzoyl-3-[bis[3-(2-methylpropyl)phenyl]methylamino]-2-(1-indolyl)butanoic acid IUPAC Name: 2-benzoyl-3-[bis[3-(2-methylpropyl)phenyl]methylamino]-2-indol-1-ylbutanoic acid Traditional Name: 2-benzoyl-3-[bis(3-isobutylphenyl)methylamino]-2-indol-1-yl-butyric acid Formula: C40H44N2O3 MolecularWeight: 600.78896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H44N2O3/c1-27(2)23-30-13-11-18-34(25-30)37(35-19-12-14-31(26-35)24-28(3)4)41-29(5)40(39(44)45,38(43)33-16-7-6-8-17-33)42-22-21-32-15-9-10-20-36(32)42/h6-22,25-29,37,41H,23-24H2,1-5H3,(H,44,45)