ethyl 4-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]butanoate

Systemtic Name: ethyl 4-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]butanoate Openeye Name: ethyl 4-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]butanoate CAS Name: 4-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]butanoate Traditional Name: 4-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]butyric acid ethyl ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H36N2O5/c1-4-32-24(29)11-8-18-33-25-22(12-13-23(30-2)26(25)31-3)20-28-16-14-27(15-17-28)19-21-9-6-5-7-10-21/h5-7,9-10,12-13H,4,8,11,14-20H2,1-3H3