2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-4-[2-chloranyl-4,4-dimethyl-1,3-bis(oxidanylidene)-1-phenylazanyl-pentan-2-yl]oxy-benzoic acid

Systemtic Name: 2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-4-[2-chloranyl-4,4-dimethyl-1,3-bis(oxidanylidene)-1-phenylazanyl-pentan-2-yl]oxy-benzoic acid Openeye Name: 2-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-4-[1-chloro-3,3-dimethyl-2-oxo-1-(phenylcarbamoyl)butoxy]benzoic acid CAS Name: 4-(1-anilino-2-chloro-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy-2-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-(1-anilino-2-chloro-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy-2-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]benzoic acid Traditional Name: 4-[1-chloro-2-keto-3,3-dimethyl-1-(phenylcarbamoyl)butoxy]-2-[4-(2,4-ditert-amylphenoxy)butanoylamino]benzoic acid Formula: C40H51ClN2O7 MolecularWeight: 707.29514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)OC(C(=O)C(C)(C)C)(C(=O)NC3=CC=CC=C3)Cl)C(=O)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)OC(C(=O)C(C)(C)C)(C(=O)NC3=CC=CC=C3)Cl)C(=O)O)C(C)(C)CC

InChI

InChI=1S/C40H51ClN2O7/c1-10-38(6,7)26-19-22-32(30(24-26)39(8,9)11-2)49-23-15-18-33(44)43-31-25-28(20-21-29(31)34(45)46)50-40(41,35(47)37(3,4)5)36(48)42-27-16-13-12-14-17-27/h12-14,16-17,19-22,24-25H,10-11,15,18,23H2,1-9H3,(H,42,48)(H,43,44)(H,45,46)