(3R,4R)-N-ethyl-4-oxidanyl-3-[(4-phenylmethoxyphenyl)carbonylamino]azepane-1-carboxamide

Systemtic Name: (3R,4R)-N-ethyl-4-oxidanyl-3-[(4-phenylmethoxyphenyl)carbonylamino]azepane-1-carboxamide Openeye Name: (3R,4R)-3-[(4-benzyloxybenzoyl)amino]-N-ethyl-4-hydroxy-azepane-1-carboxamide CAS Name: (3R,4R)-N-ethyl-4-hydroxy-3-[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-1-azepanecarboxamide IUPAC Name: (3R,4R)-N-ethyl-4-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]azepane-1-carboxamide Traditional Name: (3R,4R)-3-[(4-benzoxybenzoyl)amino]-N-ethyl-4-hydroxy-azepane-1-carboxamide Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCC(C(C1)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CCNC(=O)N1CCC[C@H]([C@@H](C1)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C23H29N3O4/c1-2-24-23(29)26-14-6-9-21(27)20(15-26)25-22(28)18-10-12-19(13-11-18)30-16-17-7-4-3-5-8-17/h3-5,7-8,10-13,20-21,27H,2,6,9,14-16H2,1H3,(H,24,29)(H,25,28)/t20-,21-/m1/s1