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

Systemtic Name: 3-[bis[4-(2-methylpropyl)phenyl]methylamino]-2-indol-1-yl-2-(phenylcarbonyl)pentanoic acid Openeye Name: 2-benzoyl-3-[bis(4-isobutylphenyl)methylamino]-2-indol-1-yl-pentanoic acid CAS Name: 2-benzoyl-3-[bis[4-(2-methylpropyl)phenyl]methylamino]-2-(1-indolyl)pentanoic acid IUPAC Name: 2-benzoyl-3-[bis[4-(2-methylpropyl)phenyl]methylamino]-2-indol-1-ylpentanoic acid Traditional Name: 2-benzoyl-3-[bis(4-isobutylphenyl)methylamino]-2-indol-1-yl-valeric acid Formula: C41H46N2O3 MolecularWeight: 614.81554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)C1=CC=CC=C1)(C(=O)O)N2C=CC3=CC=CC=C32)NC(C4=CC=C(C=C4)CC(C)C)C5=CC=C(C=C5)CC(C)C

Isomeric SMILES

CCC(C(C(=O)C1=CC=CC=C1)(C(=O)O)N2C=CC3=CC=CC=C32)NC(C4=CC=C(C=C4)CC(C)C)C5=CC=C(C=C5)CC(C)C

InChI

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