(E)-4-[[(2S)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[(2S)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[(1S)-1-methylpropyl]-(m-tolylmethyl)amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(2S)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[(2S)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[(3-methylbenzyl)-[(1S)-1-methylpropyl]amino]but-2-enoate Formula: C16H20NO3- MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-4-13(3)17(15(18)8-9-16(19)20)11-14-7-5-6-12(2)10-14/h5-10,13H,4,11H2,1-3H3,(H,19,20)/p-1/b9-8+/t13-/m0/s1