2-ethoxycarbonyl-4-methyl-2-(propanoylamino)-3-(4-propan-2-ylphenyl)pentanoic acid

Systemtic Name: 2-ethoxycarbonyl-4-methyl-2-(propanoylamino)-3-(4-propan-2-ylphenyl)pentanoic acid Openeye Name: 2-ethoxycarbonyl-3-(4-isopropylphenyl)-4-methyl-2-(propanoylamino)pentanoic acid CAS Name: 2-ethoxycarbonyl-4-methyl-2-(1-oxopropylamino)-3-(4-propan-2-ylphenyl)pentanoic acid IUPAC Name: 2-ethoxycarbonyl-4-methyl-2-(propanoylamino)-3-(4-propan-2-ylphenyl)pentanoic acid Traditional Name: 2-carbethoxy-4-methyl-3-p-cumenyl-2-propionamido-valeric acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C(C1=CC=C(C=C1)C(C)C)C(C)C)(C(=O)O)C(=O)OCC

Isomeric SMILES

CCC(=O)NC(C(C1=CC=C(C=C1)C(C)C)C(C)C)(C(=O)O)C(=O)OCC

InChI

InChI=1S/C21H31NO5/c1-7-17(23)22-21(19(24)25,20(26)27-8-2)18(14(5)6)16-11-9-15(10-12-16)13(3)4/h9-14,18H,7-8H2,1-6H3,(H,22,23)(H,24,25)