2-[[[5-methyl-2-(3-methylbutyl)-2-oxidanyl-hexanoyl]amino]-phenyl-carbamoyl]benzoic acid

Systemtic Name: 2-[[[5-methyl-2-(3-methylbutyl)-2-oxidanyl-hexanoyl]amino]-phenyl-carbamoyl]benzoic acid Openeye Name: 2-[[(2-hydroxy-2-isopentyl-5-methyl-hexanoyl)amino]-phenyl-carbamoyl]benzoic acid CAS Name: 2-[(N-[[2-hydroxy-5-methyl-2-(3-methylbutyl)-1-oxohexyl]amino]anilino)-oxomethyl]benzoic acid IUPAC Name: 2-[[[2-hydroxy-5-methyl-2-(3-methylbutyl)hexanoyl]amino]-phenylcarbamoyl]benzoic acid Traditional Name: 2-[[(2-hydroxy-2-isoamyl-5-methyl-hexanoyl)amino]-phenyl-carbamoyl]benzoic acid Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCC(C)C)(C(=O)NN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CC(C)CCC(CCC(C)C)(C(=O)NN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C26H34N2O5/c1-18(2)14-16-26(33,17-15-19(3)4)25(32)27-28(20-10-6-5-7-11-20)23(29)21-12-8-9-13-22(21)24(30)31/h5-13,18-19,33H,14-17H2,1-4H3,(H,27,32)(H,30,31)