(2R)-2-[3-[(4-methylphenyl)amino]-3-oxidanylidene-propyl]hexanoate

Systemtic Name: (2R)-2-[3-[(4-methylphenyl)amino]-3-oxidanylidene-propyl]hexanoate Openeye Name: (2R)-2-[3-(4-methylanilino)-3-oxo-propyl]hexanoate CAS Name: (2R)-2-[3-(4-methylanilino)-3-oxopropyl]hexanoate IUPAC Name: (2R)-2-[3-(4-methylanilino)-3-oxopropyl]hexanoate Traditional Name: (2R)-2-[3-keto-3-(p-toluidino)propyl]hexanoate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-3-4-5-13(16(19)20)8-11-15(18)17-14-9-6-12(2)7-10-14/h6-7,9-10,13H,3-5,8,11H2,1-2H3,(H,17,18)(H,19,20)/p-1/t13-/m1/s1