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

Systemtic Name: (E)-4-oxidanylidene-4-(3-pyrrolidin-1-ylpropylamino)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(3-pyrrolidin-1-ylpropylamino)but-2-enoic acid CAS Name: (E)-4-oxo-4-[3-(1-pyrrolidinyl)propylamino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(3-pyrrolidin-1-ylpropylamino)but-2-enoic acid Traditional Name: (E)-4-keto-4-(3-pyrrolidinopropylamino)but-2-enoic acid Formula: C11H18N2O3 MolecularWeight: 226.27222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)C=CC(=O)O

Isomeric SMILES

C1CCN(C1)CCCNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C11H18N2O3/c14-10(4-5-11(15)16)12-6-3-9-13-7-1-2-8-13/h4-5H,1-3,6-9H2,(H,12,14)(H,15,16)/b5-4+