[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; ethanedioic acid

Systemtic Name: [4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; ethanedioic acid Openeye Name: [4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid CAS Name: [4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-(3-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-(5-bromo-2-methoxy-benzyl)piperazino]-(3-methoxyphenyl)methanone; oxalic acid Formula: C22H25BrN2O7 MolecularWeight: 509.3471

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23BrN2O3.C2H2O4/c1-25-18-5-3-4-15(13-18)20(24)23-10-8-22(9-11-23)14-16-12-17(21)6-7-19(16)26-2;3-1(4)2(5)6/h3-7,12-13H,8-11,14H2,1-2H3;(H,3,4)(H,5,6)