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

Systemtic Name: (E)-4-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[(3-methoxyphenyl)methyl-[(1S)-1-methylpropyl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[m-anisyl-[(1S)-1-methylpropyl]amino]but-2-enoate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-4-12(2)17(15(18)8-9-16(19)20)11-13-6-5-7-14(10-13)21-3/h5-10,12H,4,11H2,1-3H3,(H,19,20)/p-1/b9-8+/t12-/m0/s1