(E)-4-oxidanylidene-4-(3-piperidin-1-ylpropylamino)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(3-piperidin-1-ylpropylamino)but-2-enoic acid Openeye Name: (E)-4-oxo-4-[3-(1-piperidyl)propylamino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[3-(1-piperidinyl)propylamino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(3-piperidin-1-ylpropylamino)but-2-enoic acid Traditional Name: (E)-4-keto-4-(3-piperidinopropylamino)but-2-enoic acid Formula: C12H20N2O3 MolecularWeight: 240.2988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)C=CC(=O)O

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H20N2O3/c15-11(5-6-12(16)17)13-7-4-10-14-8-2-1-3-9-14/h5-6H,1-4,7-10H2,(H,13,15)(H,16,17)/b6-5+