2-indolizin-3-yl-3-[1-[4-(2-methylpropyl)phenyl]hexylamino]-2-(phenylcarbonyl)butanoic acid

Systemtic Name: 2-indolizin-3-yl-3-[1-[4-(2-methylpropyl)phenyl]hexylamino]-2-(phenylcarbonyl)butanoic acid Openeye Name: 2-benzoyl-2-indolizin-3-yl-3-[1-(4-isobutylphenyl)hexylamino]butanoic acid CAS Name: 2-benzoyl-2-(3-indolizinyl)-3-[1-[4-(2-methylpropyl)phenyl]hexylamino]butanoic acid IUPAC Name: 2-benzoyl-2-indolizin-3-yl-3-[1-[4-(2-methylpropyl)phenyl]hexylamino]butanoic acid Traditional Name: 2-benzoyl-2-indolizin-3-yl-3-[1-(4-isobutylphenyl)hexylamino]butyric acid Formula: C35H42N2O3 MolecularWeight: 538.71958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)CC(C)C)NC(C)C(C2=CC=C3N2C=CC=C3)(C(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)CC(C)C)NC(C)C(C2=CC=C3N2C=CC=C3)(C(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C35H42N2O3/c1-5-6-8-16-31(28-19-17-27(18-20-28)24-25(2)3)36-26(4)35(34(39)40,33(38)29-13-9-7-10-14-29)32-22-21-30-15-11-12-23-37(30)32/h7,9-15,17-23,25-26,31,36H,5-6,8,16,24H2,1-4H3,(H,39,40)