2-indol-1-yl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-(phenylcarbonyl)butanoic acid

Systemtic Name: 2-indol-1-yl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-(phenylcarbonyl)butanoic acid Openeye Name: 2-benzoyl-2-indol-1-yl-3-[1-(4-isobutylphenyl)ethylamino]butanoic acid CAS Name: 2-benzoyl-2-(1-indolyl)-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]butanoic acid IUPAC Name: 2-benzoyl-2-indol-1-yl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]butanoic acid Traditional Name: 2-benzoyl-2-indol-1-yl-3-[1-(4-isobutylphenyl)ethylamino]butyric acid Formula: C31H34N2O3 MolecularWeight: 482.61326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)NC(C)C(C(=O)C2=CC=CC=C2)(C(=O)O)N3C=CC4=CC=CC=C43

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)NC(C)C(C(=O)C2=CC=CC=C2)(C(=O)O)N3C=CC4=CC=CC=C43

InChI

InChI=1S/C31H34N2O3/c1-21(2)20-24-14-16-25(17-15-24)22(3)32-23(4)31(30(35)36,29(34)27-11-6-5-7-12-27)33-19-18-26-10-8-9-13-28(26)33/h5-19,21-23,32H,20H2,1-4H3,(H,35,36)