3-[(1-methoxy-1-oxidanylidene-butan-2-yl)carbamoyl]-5-methyl-2-(3-phenoxypropyl)hexanoic acid

Systemtic Name: 3-[(1-methoxy-1-oxidanylidene-butan-2-yl)carbamoyl]-5-methyl-2-(3-phenoxypropyl)hexanoic acid Openeye Name: 3-(1-methoxycarbonylpropylcarbamoyl)-5-methyl-2-(3-phenoxypropyl)hexanoic acid CAS Name: 3-[[(1-methoxy-1-oxobutan-2-yl)amino]-oxomethyl]-5-methyl-2-(3-phenoxypropyl)hexanoic acid IUPAC Name: 3-[(1-methoxy-1-oxobutan-2-yl)carbamoyl]-5-methyl-2-(3-phenoxypropyl)hexanoic acid Traditional Name: 3-(1-carbomethoxypropylcarbamoyl)-5-methyl-2-(3-phenoxypropyl)hexanoic acid Formula: C22H33NO6 MolecularWeight: 407.50052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)NC(=O)C(CC(C)C)C(CCCOC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCC(C(=O)OC)NC(=O)C(CC(C)C)C(CCCOC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C22H33NO6/c1-5-19(22(27)28-4)23-20(24)18(14-15(2)3)17(21(25)26)12-9-13-29-16-10-7-6-8-11-16/h6-8,10-11,15,17-19H,5,9,12-14H2,1-4H3,(H,23,24)(H,25,26)