(2R,3R)-3-methyl-5-[(4-methylphenyl)amino]-5-oxidanylidene-2-propyl-pentanoate

Systemtic Name: (2R,3R)-3-methyl-5-[(4-methylphenyl)amino]-5-oxidanylidene-2-propyl-pentanoate Openeye Name: (2R,3R)-3-methyl-5-(4-methylanilino)-5-oxo-2-propyl-pentanoate CAS Name: (2R,3R)-3-methyl-5-(4-methylanilino)-5-oxo-2-propylpentanoate IUPAC Name: (2R,3R)-3-methyl-5-(4-methylanilino)-5-oxo-2-propylpentanoate Traditional Name: (2R,3R)-5-keto-3-methyl-2-propyl-5-(p-toluidino)valerate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)CC(=O)NC1=CC=C(C=C1)C)C(=O)[O-]

Isomeric SMILES

CCC[C@H]([C@H](C)CC(=O)NC1=CC=C(C=C1)C)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-4-5-14(16(19)20)12(3)10-15(18)17-13-8-6-11(2)7-9-13/h6-9,12,14H,4-5,10H2,1-3H3,(H,17,18)(H,19,20)/p-1/t12-,14-/m1/s1