3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-2-carboxylic acid

Systemtic Name: 3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-2-carboxylic acid Openeye Name: 3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]naphthalene-2-carboxylic acid CAS Name: 3-[2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-2-naphthalenecarboxylic acid IUPAC Name: 3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalene-2-carboxylic acid Traditional Name: 3-[2-keto-2-(4-veratrylpiperazino)ethoxy]-2-naphthoic acid Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3C(=O)O)OC

InChI

InChI=1S/C26H28N2O6/c1-32-22-8-7-18(13-24(22)33-2)16-27-9-11-28(12-10-27)25(29)17-34-23-15-20-6-4-3-5-19(20)14-21(23)26(30)31/h3-8,13-15H,9-12,16-17H2,1-2H3,(H,30,31)