2-[[4-[3-[4-(3-ethyl-2-methyl-3-oxidanyl-pentyl)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl]carbonyl-methyl-amino]-2-methyl-propanoic acid

Systemtic Name: 2-[[4-[3-[4-(3-ethyl-2-methyl-3-oxidanyl-pentyl)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl]carbonyl-methyl-amino]-2-methyl-propanoic acid Openeye Name: 2-[[4-[1-ethyl-1-[4-(3-ethyl-3-hydroxy-2-methyl-pentyl)-3-methyl-phenyl]propyl]-2-methyl-benzoyl]-methyl-amino]-2-methyl-propanoic acid CAS Name: 2-[[[4-[3-[4-(3-ethyl-3-hydroxy-2-methylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-oxomethyl]-methylamino]-2-methylpropanoic acid IUPAC Name: 2-[[4-[3-[4-(3-ethyl-3-hydroxy-2-methylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylbenzoyl]-methylamino]-2-methylpropanoic acid Traditional Name: 2-[[4-[1-ethyl-1-[4-(3-ethyl-3-hydroxy-2-methyl-pentyl)-3-methyl-phenyl]propyl]-2-methyl-benzoyl]-methyl-amino]-2-methyl-propionic acid Formula: C33H49NO4 MolecularWeight: 523.74646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)CC(C)C(CC)(CC)O)C)C2=CC(=C(C=C2)C(=O)N(C)C(C)(C)C(=O)O)C

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)CC(C)C(CC)(CC)O)C)C2=CC(=C(C=C2)C(=O)N(C)C(C)(C)C(=O)O)C

InChI

InChI=1S/C33H49NO4/c1-11-32(12-2,26-16-15-25(22(5)19-26)21-24(7)33(38,13-3)14-4)27-17-18-28(23(6)20-27)29(35)34(10)31(8,9)30(36)37/h15-20,24,38H,11-14,21H2,1-10H3,(H,36,37)