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

Systemtic Name: 2-methyl-3-[(2-methyloctanoylamino)methyl]-2-(4-phenylphenyl)butanedioic acid Openeye Name: 2-methyl-3-[(2-methyloctanoylamino)methyl]-2-(4-phenylphenyl)butanedioic acid CAS Name: 2-methyl-3-[[(2-methyl-1-oxooctyl)amino]methyl]-2-(4-phenylphenyl)butanedioic acid IUPAC Name: 2-methyl-3-[(2-methyloctanoylamino)methyl]-2-(4-phenylphenyl)butanedioic acid Traditional Name: 2-methyl-3-[(2-methyloctanoylamino)methyl]-2-(4-phenylphenyl)succinic acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)NCC(C(=O)O)C(C)(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCC(C)C(=O)NCC(C(=O)O)C(C)(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C27H35NO5/c1-4-5-6-8-11-19(2)24(29)28-18-23(25(30)31)27(3,26(32)33)22-16-14-21(15-17-22)20-12-9-7-10-13-20/h7,9-10,12-17,19,23H,4-6,8,11,18H2,1-3H3,(H,28,29)(H,30,31)(H,32,33)