[4-[[(3-bromanyl-4-methoxy-phenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine

Systemtic Name: [4-[[(3-bromanyl-4-methoxy-phenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine Openeye Name: [4-[[(3-bromo-4-methoxy-phenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine CAS Name: [4-[[(3-bromo-4-methoxyphenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine IUPAC Name: [4-[[(3-bromo-4-methoxyphenyl)methyl-[(3-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine Traditional Name: [4-(aminomethyl)cyclohexyl]methyl-(3-bromo-4-methoxy-benzyl)-(3-phenoxybenzyl)amine Formula: C29H35BrN2O2 MolecularWeight: 523.5044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2CCC(CC2)CN)CC3=CC(=CC=C3)OC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2CCC(CC2)CN)CC3=CC(=CC=C3)OC4=CC=CC=C4)Br

InChI

InChI=1S/C29H35BrN2O2/c1-33-29-15-14-25(17-28(29)30)21-32(19-23-12-10-22(18-31)11-13-23)20-24-6-5-9-27(16-24)34-26-7-3-2-4-8-26/h2-9,14-17,22-23H,10-13,18-21,31H2,1H3