2-methyl-3-(2-oxidanylideneoctylamino)-2-[(4-phenylphenyl)methyl]butanedioic acid

Systemtic Name: 2-methyl-3-(2-oxidanylideneoctylamino)-2-[(4-phenylphenyl)methyl]butanedioic acid Openeye Name: 2-methyl-3-(2-oxooctylamino)-2-[(4-phenylphenyl)methyl]butanedioic acid CAS Name: 2-methyl-3-(2-oxooctylamino)-2-[(4-phenylphenyl)methyl]butanedioic acid IUPAC Name: 2-methyl-3-(2-oxooctylamino)-2-[(4-phenylphenyl)methyl]butanedioic acid Traditional Name: 3-(2-ketooctylamino)-2-methyl-2-(4-phenylbenzyl)succinic acid Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CNC(C(=O)O)C(C)(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCC(=O)CNC(C(=O)O)C(C)(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H33NO5/c1-3-4-5-9-12-22(28)18-27-23(24(29)30)26(2,25(31)32)17-19-13-15-21(16-14-19)20-10-7-6-8-11-20/h6-8,10-11,13-16,23,27H,3-5,9,12,17-18H2,1-2H3,(H,29,30)(H,31,32)