(3R,4R)-3-[[4-(2-methoxyethoxy)phenyl]carbonylamino]-4-oxidanyl-N-phenyl-azepane-1-carboxamide

Systemtic Name: (3R,4R)-3-[[4-(2-methoxyethoxy)phenyl]carbonylamino]-4-oxidanyl-N-phenyl-azepane-1-carboxamide Openeye Name: (3R,4R)-4-hydroxy-3-[[4-(2-methoxyethoxy)benzoyl]amino]-N-phenyl-azepane-1-carboxamide CAS Name: (3R,4R)-4-hydroxy-3-[[[4-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-N-phenyl-1-azepanecarboxamide IUPAC Name: (3R,4R)-4-hydroxy-3-[[4-(2-methoxyethoxy)benzoyl]amino]-N-phenylazepane-1-carboxamide Traditional Name: (3R,4R)-4-hydroxy-3-[[4-(2-methoxyethoxy)benzoyl]amino]-N-phenyl-azepane-1-carboxamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)C(=O)NC2CN(CCCC2O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COCCOC1=CC=C(C=C1)C(=O)N[C@@H]2CN(CCC[C@H]2O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O5/c1-30-14-15-31-19-11-9-17(10-12-19)22(28)25-20-16-26(13-5-8-21(20)27)23(29)24-18-6-3-2-4-7-18/h2-4,6-7,9-12,20-21,27H,5,8,13-16H2,1H3,(H,24,29)(H,25,28)/t20-,21-/m1/s1