(3R,4R)-N-(3-methoxyphenyl)-4-oxidanyl-3-[(4-prop-2-ynoxyphenyl)carbonylamino]azepane-1-carboxamide

Systemtic Name: (3R,4R)-N-(3-methoxyphenyl)-4-oxidanyl-3-[(4-prop-2-ynoxyphenyl)carbonylamino]azepane-1-carboxamide Openeye Name: (3R,4R)-4-hydroxy-N-(3-methoxyphenyl)-3-[(4-prop-2-ynoxybenzoyl)amino]azepane-1-carboxamide CAS Name: (3R,4R)-4-hydroxy-N-(3-methoxyphenyl)-3-[[oxo-(4-prop-2-ynoxyphenyl)methyl]amino]-1-azepanecarboxamide IUPAC Name: (3R,4R)-4-hydroxy-N-(3-methoxyphenyl)-3-[(4-prop-2-ynoxybenzoyl)amino]azepane-1-carboxamide Traditional Name: (3R,4R)-4-hydroxy-N-(3-methoxyphenyl)-3-[(4-propargyloxybenzoyl)amino]azepane-1-carboxamide Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)N2CCCC(C(C2)NC(=O)C3=CC=C(C=C3)OCC#C)O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2CCC[C@H]([C@@H](C2)NC(=O)C3=CC=C(C=C3)OCC#C)O

InChI

InChI=1S/C24H27N3O5/c1-3-14-32-19-11-9-17(10-12-19)23(29)26-21-16-27(13-5-8-22(21)28)24(30)25-18-6-4-7-20(15-18)31-2/h1,4,6-7,9-12,15,21-22,28H,5,8,13-14,16H2,2H3,(H,25,30)(H,26,29)/t21-,22-/m1/s1