methyl 1-(3-bromanyl-4,5-dimethoxy-phenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-naphthalene-2-carboxylate

Systemtic Name: methyl 1-(3-bromanyl-4,5-dimethoxy-phenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-naphthalene-2-carboxylate Openeye Name: methyl 1-(3-bromo-4,5-dimethoxy-phenyl)-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]naphthalene-2-carboxylate CAS Name: 1-(3-bromo-4,5-dimethoxyphenyl)-3-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-bromo-4,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]naphthalene-2-carboxylate Traditional Name: 1-(3-bromo-4,5-dimethoxy-phenyl)-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]naphthalene-2-carboxylic acid methyl ester Formula: C27H29BrN2O6 MolecularWeight: 557.43296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=CC3=CC=CC=C32)C(=O)N4CCN(CC4)CCO)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=CC3=CC=CC=C32)C(=O)N4CCN(CC4)CCO)C(=O)OC)Br)OC

InChI

InChI=1S/C27H29BrN2O6/c1-34-22-16-18(15-21(28)25(22)35-2)23-19-7-5-4-6-17(19)14-20(24(23)27(33)36-3)26(32)30-10-8-29(9-11-30)12-13-31/h4-7,14-16,31H,8-13H2,1-3H3