ethyl 2-[2-phenylmethoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-phenylmethoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[2-benzyloxy-5-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenoxy]acetate CAS Name: 2-[2-phenylmethoxy-5-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-phenylmethoxy-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetate Traditional Name: 2-[2-benzoxy-5-[[4-(2-pyridyl)piperazino]methyl]phenoxy]acetic acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=N3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=N3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4/c1-2-32-27(31)21-34-25-18-23(11-12-24(25)33-20-22-8-4-3-5-9-22)19-29-14-16-30(17-15-29)26-10-6-7-13-28-26/h3-13,18H,2,14-17,19-21H2,1H3