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

Systemtic Name: 4-[[(2S)-butan-2-yl]-[(4-methylphenyl)methyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-1-methylpropyl]-(p-tolylmethyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-butan-2-yl]-[(4-methylphenyl)methyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-butan-2-yl]-[(4-methylphenyl)methyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(4-methylbenzyl)-[(1S)-1-methylpropyl]amino]butyric acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)C)C(=O)CCC(=O)O

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)C)C(=O)CCC(=O)O

InChI

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