methyl 3-phenyl-4-[4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate

Systemtic Name: methyl 3-phenyl-4-[4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Openeye Name: methyl 3-phenyl-4-[4-[2-(4-pyridyl)piperazin-1-yl]phenoxy]butanoate CAS Name: 3-phenyl-4-[4-(2-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid methyl ester IUPAC Name: methyl 3-phenyl-4-[4-(2-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate Traditional Name: 3-phenyl-4-[4-[2-(4-pyridyl)piperazino]phenoxy]butyric acid methyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(COC1=CC=C(C=C1)N2CCNCC2C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CC(COC1=CC=C(C=C1)N2CCNCC2C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-31-26(30)17-22(20-5-3-2-4-6-20)19-32-24-9-7-23(8-10-24)29-16-15-28-18-25(29)21-11-13-27-14-12-21/h2-14,22,25,28H,15-19H2,1H3