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

Systemtic Name: 4-[[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-ethylphenyl)methyl-[(1S)-1-methylpropyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-butan-2-yl]-[(4-ethylphenyl)methyl]amino]-4-oxobutanoic acid Traditional Name: 4-[(4-ethylbenzyl)-[(1S)-1-methylpropyl]amino]-4-keto-butyric acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C(C)CC)C(=O)CCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN([C@@H](C)CC)C(=O)CCC(=O)O

InChI

InChI=1S/C17H25NO3/c1-4-13(3)18(16(19)10-11-17(20)21)12-15-8-6-14(5-2)7-9-15/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,21)/t13-/m0/s1