1-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-4-amine; ethanedioic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-4-amine; ethanedioic acid Openeye Name: N-benzyl-1-[(5-bromo-2-methoxy-phenyl)methyl]-N-phenethyl-piperidin-4-amine; oxalic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidinamine; oxalic acid IUPAC Name: N-benzyl-1-[(5-bromo-2-methoxyphenyl)methyl]-N-phenethylpiperidin-4-amine; oxalic acid Traditional Name: benzyl-[1-(5-bromo-2-methoxy-benzyl)-4-piperidyl]-phenethyl-amine; oxalic acid Formula: C30H35BrN2O5 MolecularWeight: 583.5133

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCC(CC2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H33BrN2O.C2H2O4/c1-32-28-13-12-26(29)20-25(28)22-30-17-15-27(16-18-30)31(21-24-10-6-3-7-11-24)19-14-23-8-4-2-5-9-23;3-1(4)2(5)6/h2-13,20,27H,14-19,21-22H2,1H3;(H,3,4)(H,5,6)