3-[2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-2-carboxylic acid

Systemtic Name: 3-[2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-2-carboxylic acid Openeye Name: 3-[2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]naphthalene-2-carboxylic acid CAS Name: 3-[2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-2-naphthalenecarboxylic acid IUPAC Name: 3-[2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalene-2-carboxylic acid Traditional Name: 3-[2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]-2-keto-ethoxy]-2-naphthoic acid Formula: C27H30N2O6 MolecularWeight: 478.5369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3C(=O)O)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3C(=O)O)OC)OC

InChI

InChI=1S/C27H30N2O6/c1-18-12-24(33-2)25(34-3)15-21(18)16-28-8-10-29(11-9-28)26(30)17-35-23-14-20-7-5-4-6-19(20)13-22(23)27(31)32/h4-7,12-15H,8-11,16-17H2,1-3H3,(H,31,32)