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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)CC(C)C)NC(C)C(C2=C3C=CC=CN3C=C2)(C(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)CC(C)C)NC(C)C(C2=C3C=CC=CN3C=C2)(C(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C35H42N2O3/c1-5-6-8-15-31(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)30-21-23-37-22-12-11-16-32(30)37/h7,9-14,16-23,25-26,31,36H,5-6,8,15,24H2,1-4H3,(H,39,40)