tert-butyl 6-(hydroxymethyl)-4-oxidanylidene-2,3,5,6-tetrahydro-1-benzazocine-1-carboxylate

Systemtic Name: tert-butyl 6-(hydroxymethyl)-4-oxidanylidene-2,3,5,6-tetrahydro-1-benzazocine-1-carboxylate Openeye Name: tert-butyl 6-(hydroxymethyl)-4-oxo-2,3,5,6-tetrahydro-1-benzazocine-1-carboxylate CAS Name: 6-(hydroxymethyl)-4-oxo-2,3,5,6-tetrahydro-1-benzazocine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(hydroxymethyl)-4-oxo-2,3,5,6-tetrahydro-1-benzazocine-1-carboxylate Traditional Name: 4-keto-6-methylol-2,3,5,6-tetrahydro-1-benzazocine-1-carboxylic acid tert-butyl ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=O)CC(C2=CC=CC=C21)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=O)CC(C2=CC=CC=C21)CO

InChI

InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-9-8-13(20)10-12(11-19)14-6-4-5-7-15(14)18/h4-7,12,19H,8-11H2,1-3H3