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

Systemtic Name: (E)-4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[isobutyl(o-tolylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(2-methylphenyl)methyl-(2-methylpropyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[isobutyl-(2-methylbenzyl)amino]-4-keto-but-2-enoic acid Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

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)/b9-8+