[4-[(4-bromanyl-3-methoxy-phenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone; ethanedioic acid

Systemtic Name: [4-[(4-bromanyl-3-methoxy-phenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone; ethanedioic acid Openeye Name: [4-[(4-bromo-3-methoxy-phenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone; oxalic acid CAS Name: [4-[(4-bromo-3-methoxyphenyl)methyl]-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone; oxalic acid IUPAC Name: [4-[(4-bromo-3-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Traditional Name: [4-(4-bromo-3-methoxy-benzyl)piperazino]-(3,4,5-trimethoxyphenyl)methanone; oxalic acid Formula: C24H29BrN2O9 MolecularWeight: 569.39906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27BrN2O5.C2H2O4/c1-27-18-11-15(5-6-17(18)23)14-24-7-9-25(10-8-24)22(26)16-12-19(28-2)21(30-4)20(13-16)29-3;3-1(4)2(5)6/h5-6,11-13H,7-10,14H2,1-4H3;(H,3,4)(H,5,6)