4-(2-methylpropylcarbamoylamino)-2-phenylmethoxy-4-(4-phenylphenyl)hexanedioic acid

Systemtic Name: 4-(2-methylpropylcarbamoylamino)-2-phenylmethoxy-4-(4-phenylphenyl)hexanedioic acid Openeye Name: 2-benzyloxy-4-(isobutylcarbamoylamino)-4-(4-phenylphenyl)hexanedioic acid CAS Name: 4-[[(2-methylpropylamino)-oxomethyl]amino]-2-phenylmethoxy-4-(4-phenylphenyl)hexanedioic acid IUPAC Name: 4-(2-methylpropylcarbamoylamino)-2-phenylmethoxy-4-(4-phenylphenyl)hexanedioic acid Traditional Name: 2-benzoxy-4-(isobutylcarbamoylamino)-4-(4-phenylphenyl)adipic acid Formula: C30H34N2O6 MolecularWeight: 518.60076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CC(C(=O)O)OCC1=CC=CC=C1)(CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)NC(CC(C(=O)O)OCC1=CC=CC=C1)(CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C30H34N2O6/c1-21(2)19-31-29(37)32-30(18-27(33)34,17-26(28(35)36)38-20-22-9-5-3-6-10-22)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-16,21,26H,17-20H2,1-2H3,(H,33,34)(H,35,36)(H2,31,32,37)