(E)-4-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(4-methyl-1-piperidyl)anilino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(4-methyl-1-piperidinyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(4-methylpiperidin-1-yl)anilino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[4-(4-methylpiperidino)anilino]but-2-enoic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-12-8-10-18(11-9-12)14-4-2-13(3-5-14)17-15(19)6-7-16(20)21/h2-7,12H,8-11H2,1H3,(H,17,19)(H,20,21)/b7-6+