methyl 3-[[4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]methyl]pent-4-enoate

Systemtic Name: methyl 3-[[4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]methyl]pent-4-enoate Openeye Name: methyl 3-[[4-[2-(4-pyridyl)piperazin-1-yl]phenoxy]methyl]pent-4-enoate CAS Name: 3-[[4-(2-pyridin-4-yl-1-piperazinyl)phenoxy]methyl]-4-pentenoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]methyl]pent-4-enoate Traditional Name: 3-[[4-[2-(4-pyridyl)piperazino]phenoxy]methyl]pent-4-enoic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(COC1=CC=C(C=C1)N2CCNCC2C3=CC=NC=C3)C=C

Isomeric SMILES

COC(=O)CC(COC1=CC=C(C=C1)N2CCNCC2C3=CC=NC=C3)C=C

InChI

InChI=1S/C22H27N3O3/c1-3-17(14-22(26)27-2)16-28-20-6-4-19(5-7-20)25-13-12-24-15-21(25)18-8-10-23-11-9-18/h3-11,17,21,24H,1,12-16H2,2H3