3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbonylamino]-4-oxidanyl-azepane-1-carboxylate

Systemtic Name: 3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbonylamino]-4-oxidanyl-azepane-1-carboxylate Openeye Name: 3-[(4-tert-butoxybenzoyl)amino]-4-hydroxy-azepane-1-carboxylate CAS Name: 4-hydroxy-3-[[[4-[(2-methylpropan-2-yl)oxy]phenyl]-oxomethyl]amino]-1-azepanecarboxylate IUPAC Name: 4-hydroxy-3-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]azepane-1-carboxylate Traditional Name: 3-[(4-tert-butoxybenzoyl)amino]-4-hydroxy-azepane-1-carboxylate Formula: C18H25N2O5- MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)C(=O)NC2CN(CCCC2O)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)C(=O)NC2CN(CCCC2O)C(=O)[O-]

InChI

InChI=1S/C18H26N2O5/c1-18(2,3)25-13-8-6-12(7-9-13)16(22)19-14-11-20(17(23)24)10-4-5-15(14)21/h6-9,14-15,21H,4-5,10-11H2,1-3H3,(H,19,22)(H,23,24)/p-1