N-(3-azanyl-2,2-dimethyl-propyl)-N-[[4-(2-phenoxyethanoylamino)phenyl]methyl]cyclohexanecarboxamide

Systemtic Name: N-(3-azanyl-2,2-dimethyl-propyl)-N-[[4-(2-phenoxyethanoylamino)phenyl]methyl]cyclohexanecarboxamide Openeye Name: N-(3-amino-2,2-dimethyl-propyl)-N-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclohexanecarboxamide CAS Name: N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]methyl]cyclohexanecarboxamide IUPAC Name: N-(3-amino-2,2-dimethylpropyl)-N-[[4-[(2-phenoxyacetyl)amino]phenyl]methyl]cyclohexanecarboxamide Traditional Name: N-(3-amino-2,2-dimethyl-propyl)-N-[4-[(2-phenoxyacetyl)amino]benzyl]cyclohexanecarboxamide Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CN(CC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2)C(=O)C3CCCCC3

Isomeric SMILES

CC(C)(CN)CN(CC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2)C(=O)C3CCCCC3

InChI

InChI=1S/C27H37N3O3/c1-27(2,19-28)20-30(26(32)22-9-5-3-6-10-22)17-21-13-15-23(16-14-21)29-25(31)18-33-24-11-7-4-8-12-24/h4,7-8,11-16,22H,3,5-6,9-10,17-20,28H2,1-2H3,(H,29,31)