methyl (2R)-2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-methyl-butanoate

Systemtic Name: methyl (2R)-2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-methyl-butanoate Openeye Name: methyl (2R)-2-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-3-methyl-butanoate CAS Name: (2R)-2-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2R)-2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-3-methylbutanoate Traditional Name: (2R)-2-[4-(2,4-ditert-amylphenoxy)butanoylamino]-3-methyl-butyric acid methyl ester Formula: C26H43NO4 MolecularWeight: 433.62392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC(C(C)C)C(=O)OC)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)N[C@H](C(C)C)C(=O)OC)C(C)(C)CC

InChI

InChI=1S/C26H43NO4/c1-10-25(5,6)19-14-15-21(20(17-19)26(7,8)11-2)31-16-12-13-22(28)27-23(18(3)4)24(29)30-9/h14-15,17-18,23H,10-13,16H2,1-9H3,(H,27,28)/t23-/m1/s1