2-(2-methyl-4-phenyl-phenyl)-3-(2-methylpropylcarbamoylamino)-6-oxidanylidene-6-phenylmethoxy-hexanoic acid

Systemtic Name: 2-(2-methyl-4-phenyl-phenyl)-3-(2-methylpropylcarbamoylamino)-6-oxidanylidene-6-phenylmethoxy-hexanoic acid Openeye Name: 6-benzyloxy-3-(isobutylcarbamoylamino)-2-(2-methyl-4-phenyl-phenyl)-6-oxo-hexanoic acid CAS Name: 2-(2-methyl-4-phenylphenyl)-3-[[(2-methylpropylamino)-oxomethyl]amino]-6-oxo-6-phenylmethoxyhexanoic acid IUPAC Name: 2-(2-methyl-4-phenylphenyl)-3-(2-methylpropylcarbamoylamino)-6-oxo-6-phenylmethoxyhexanoic acid Traditional Name: 6-benzoxy-3-(isobutylcarbamoylamino)-6-keto-2-(2-methyl-4-phenyl-phenyl)hexanoic acid Formula: C31H36N2O5 MolecularWeight: 516.62794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=CC=C2)C(C(CCC(=O)OCC3=CC=CC=C3)NC(=O)NCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=CC=C2)C(C(CCC(=O)OCC3=CC=CC=C3)NC(=O)NCC(C)C)C(=O)O

InChI

InChI=1S/C31H36N2O5/c1-21(2)19-32-31(37)33-27(16-17-28(34)38-20-23-10-6-4-7-11-23)29(30(35)36)26-15-14-25(18-22(26)3)24-12-8-5-9-13-24/h4-15,18,21,27,29H,16-17,19-20H2,1-3H3,(H,35,36)(H2,32,33,37)