(2R)-5-[(2-methylphenyl)amino]-5-oxidanylidene-2-propan-2-yl-pentanoate

Systemtic Name: (2R)-5-[(2-methylphenyl)amino]-5-oxidanylidene-2-propan-2-yl-pentanoate Openeye Name: (2R)-2-isopropyl-5-(2-methylanilino)-5-oxo-pentanoate CAS Name: (2R)-5-(2-methylanilino)-5-oxo-2-propan-2-ylpentanoate IUPAC Name: (2R)-5-(2-methylanilino)-5-oxo-2-propan-2-ylpentanoate Traditional Name: (2R)-2-isopropyl-5-keto-5-(o-toluidino)valerate Formula: C15H20NO3- MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC[C@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-10(2)12(15(18)19)8-9-14(17)16-13-7-5-4-6-11(13)3/h4-7,10,12H,8-9H2,1-3H3,(H,16,17)(H,18,19)/p-1/t12-/m1/s1