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

Systemtic Name: [4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; ethanedioic acid Openeye Name: [4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: [4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: [4-(5-bromo-2-methoxy-benzyl)piperazino]-(4-phenylphenyl)methanone; oxalic acid Formula: C27H27BrN2O6 MolecularWeight: 555.41708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H25BrN2O2.C2H2O4/c1-30-24-12-11-23(26)17-22(24)18-27-13-15-28(16-14-27)25(29)21-9-7-20(8-10-21)19-5-3-2-4-6-19;3-1(4)2(5)6/h2-12,17H,13-16,18H2,1H3;(H,3,4)(H,5,6)