N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-3,4-dimethoxy-benzamide Formula: C29H38ClN3O4 MolecularWeight: 528.08272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCCCC3N)C(=O)C4CCCCC4)OC

InChI

InChI=1S/C29H38ClN3O4/c1-36-26-15-12-20(17-27(26)37-2)28(34)32-22-13-14-23(30)21(16-22)18-33(25-11-7-6-10-24(25)31)29(35)19-8-4-3-5-9-19/h12-17,19,24-25H,3-11,18,31H2,1-2H3,(H,32,34)