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

Systemtic Name: 3-[bis[4-(2-methylpropyl)phenyl]methylamino]-2-(2-methylindol-1-yl)-2-(phenylcarbonyl)butanoic acid Openeye Name: 2-benzoyl-3-[bis(4-isobutylphenyl)methylamino]-2-(2-methylindol-1-yl)butanoic acid CAS Name: 2-benzoyl-3-[bis[4-(2-methylpropyl)phenyl]methylamino]-2-(2-methyl-1-indolyl)butanoic acid IUPAC Name: 2-benzoyl-3-[bis[4-(2-methylpropyl)phenyl]methylamino]-2-(2-methylindol-1-yl)butanoic acid Traditional Name: 2-benzoyl-3-[bis(4-isobutylphenyl)methylamino]-2-(2-methylindol-1-yl)butyric acid Formula: C41H46N2O3 MolecularWeight: 614.81554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1C(C(C)NC(C3=CC=C(C=C3)CC(C)C)C4=CC=C(C=C4)CC(C)C)(C(=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC2=CC=CC=C2N1C(C(C)NC(C3=CC=C(C=C3)CC(C)C)C4=CC=C(C=C4)CC(C)C)(C(=O)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C41H46N2O3/c1-27(2)24-31-16-20-33(21-17-31)38(34-22-18-32(19-23-34)25-28(3)4)42-30(6)41(40(45)46,39(44)35-12-8-7-9-13-35)43-29(5)26-36-14-10-11-15-37(36)43/h7-23,26-28,30,38,42H,24-25H2,1-6H3,(H,45,46)