4-[[(2S)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2S)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(1S)-1-methylpropyl]-(o-tolylmethyl)amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-methylbenzyl)-[(1S)-1-methylpropyl]amino]butyrate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1C)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@H](C)N(CC1=CC=CC=C1C)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-4-13(3)17(15(18)9-10-16(19)20)11-14-8-6-5-7-12(14)2/h5-8,13H,4,9-11H2,1-3H3,(H,19,20)/p-1/t13-/m0/s1