ethyl (Z)-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]but-2-enoate

Systemtic Name: ethyl (Z)-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]but-2-enoate Openeye Name: ethyl (Z)-2-[4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]but-2-enoate CAS Name: (Z)-2-[4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]but-2-enoate Traditional Name: (Z)-2-[4-[4-(4-pyridyl)piperazino]phenoxy]but-2-enoic acid ethyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC)OC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)/C(=C/C)/OC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H25N3O3/c1-3-20(21(25)26-4-2)27-19-7-5-17(6-8-19)23-13-15-24(16-14-23)18-9-11-22-12-10-18/h3,5-12H,4,13-16H2,1-2H3/b20-3-