4-(2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: 4-(2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane-1-carboxylate Openeye Name: 4-(2-hydroxytetralin-1-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane-1-carboxylate IUPAC Name: 4-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-hydroxytetralin-1-yl)-1,4-diazepane-1-carboxylate Formula: C16H21N2O3- MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)[O-])C2C(CCC3=CC=CC=C23)O

Isomeric SMILES

C1CN(CCN(C1)C(=O)[O-])C2C(CCC3=CC=CC=C23)O

InChI

InChI=1S/C16H22N2O3/c19-14-7-6-12-4-1-2-5-13(12)15(14)17-8-3-9-18(11-10-17)16(20)21/h1-2,4-5,14-15,19H,3,6-11H2,(H,20,21)/p-1