(E)-4-oxidanylidene-4-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]but-2-enoic acid CAS Name: (E)-4-oxo-4-[4-(1-propyl-2-benzimidazolyl)-1-piperazinyl]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[4-(1-propylbenzimidazol-2-yl)piperazin-1-yl]but-2-enoic acid Traditional Name: (E)-4-keto-4-[4-(1-propylbenzimidazol-2-yl)piperazino]but-2-enoic acid Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)C=CC(=O)O

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1N3CCN(CC3)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C18H22N4O3/c1-2-9-22-15-6-4-3-5-14(15)19-18(22)21-12-10-20(11-13-21)16(23)7-8-17(24)25/h3-8H,2,9-13H2,1H3,(H,24,25)/b8-7+