2-methyl-2-[7-[(4-methylphenyl)carbonylamino]-8-oxidanylidene-nonoxy]propanoic acid

Systemtic Name: 2-methyl-2-[7-[(4-methylphenyl)carbonylamino]-8-oxidanylidene-nonoxy]propanoic acid Openeye Name: 2-methyl-2-[7-[(4-methylbenzoyl)amino]-8-oxo-nonoxy]propanoic acid CAS Name: 2-methyl-2-[7-[[(4-methylphenyl)-oxomethyl]amino]-8-oxononoxy]propanoic acid IUPAC Name: 2-methyl-2-[7-[(4-methylbenzoyl)amino]-8-oxononoxy]propanoic acid Traditional Name: 2-[8-keto-7-(p-toluoylamino)nonoxy]-2-methyl-propionic acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CCCCCCOC(C)(C)C(=O)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CCCCCCOC(C)(C)C(=O)O)C(=O)C

InChI

InChI=1S/C21H31NO5/c1-15-10-12-17(13-11-15)19(24)22-18(16(2)23)9-7-5-6-8-14-27-21(3,4)20(25)26/h10-13,18H,5-9,14H2,1-4H3,(H,22,24)(H,25,26)