N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-3,3-dimethyl-butanamide

Systemtic Name: N-(2-azanylcyclohexyl)-N-[[2-chloranyl-5-(2-phenoxyethanoylamino)phenyl]methyl]-3,3-dimethyl-butanamide Openeye Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-3,3-dimethyl-butanamide CAS Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]-3,3-dimethylbutanamide IUPAC Name: N-(2-aminocyclohexyl)-N-[[2-chloro-5-[(2-phenoxyacetyl)amino]phenyl]methyl]-3,3-dimethylbutanamide Traditional Name: N-(2-aminocyclohexyl)-N-[2-chloro-5-[(2-phenoxyacetyl)amino]benzyl]-3,3-dimethyl-butyramide Formula: C27H36ClN3O3 MolecularWeight: 486.04604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)Cl)C3CCCCC3N

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=C(C=CC(=C1)NC(=O)COC2=CC=CC=C2)Cl)C3CCCCC3N

InChI

InChI=1S/C27H36ClN3O3/c1-27(2,3)16-26(33)31(24-12-8-7-11-23(24)29)17-19-15-20(13-14-22(19)28)30-25(32)18-34-21-9-5-4-6-10-21/h4-6,9-10,13-15,23-24H,7-8,11-12,16-18,29H2,1-3H3,(H,30,32)