(E)-4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-4-oxidanylidene-but-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC(C)C)C(=O)C=CC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN(CC(C)C)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C16H21NO3/c1-12(2)10-17(15(18)8-9-16(19)20)11-14-7-5-4-6-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,19,20)/p-1/b9-8+