4-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]-4-oxo-butanoic acid CAS Name: 4-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]-4-oxobutanoic acid IUPAC Name: 4-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]-4-oxobutanoic acid Traditional Name: 4-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]-4-keto-butyric acid Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OC(=O)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OC(=O)CCC(=O)O)OC

InChI

InChI=1S/C24H30N2O6/c1-30-20-9-8-19(23(24(20)31-2)32-22(29)11-10-21(27)28)17-26-14-12-25(13-15-26)16-18-6-4-3-5-7-18/h3-9H,10-17H2,1-2H3,(H,27,28)