2-(5-methoxy-2-phenyl-phenyl)-3-(2-methylpropylcarbamoylamino)hexanedioic acid

Systemtic Name: 2-(5-methoxy-2-phenyl-phenyl)-3-(2-methylpropylcarbamoylamino)hexanedioic acid Openeye Name: 3-(isobutylcarbamoylamino)-2-(5-methoxy-2-phenyl-phenyl)hexanedioic acid CAS Name: 2-(5-methoxy-2-phenylphenyl)-3-[[(2-methylpropylamino)-oxomethyl]amino]hexanedioic acid IUPAC Name: 2-(5-methoxy-2-phenylphenyl)-3-(2-methylpropylcarbamoylamino)hexanedioic acid Traditional Name: 3-(isobutylcarbamoylamino)-2-(5-methoxy-2-phenyl-phenyl)adipic acid Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CCC(=O)O)C(C1=C(C=CC(=C1)OC)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CCC(=O)O)C(C1=C(C=CC(=C1)OC)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C24H30N2O6/c1-15(2)14-25-24(31)26-20(11-12-21(27)28)22(23(29)30)19-13-17(32-3)9-10-18(19)16-7-5-4-6-8-16/h4-10,13,15,20,22H,11-12,14H2,1-3H3,(H,27,28)(H,29,30)(H2,25,26,31)