N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-[(2-phenoxyacetyl)amino]benzyl]-3,4-dimethoxy-benzamide Formula: C30H34ClN3O5 MolecularWeight: 552.06106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C4CCC(CC4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)COC3=CC=CC=C3)Cl)C4CCC(CC4)N)OC

InChI

InChI=1S/C30H34ClN3O5/c1-37-27-15-8-20(17-28(27)38-2)30(36)34(24-12-9-22(32)10-13-24)18-21-16-23(11-14-26(21)31)33-29(35)19-39-25-6-4-3-5-7-25/h3-8,11,14-17,22,24H,9-10,12-13,18-19,32H2,1-2H3,(H,33,35)