tert-butyl 2-oxidanylidene-7-(phenylmethyl)azepane-1-carboxylate

Systemtic Name: tert-butyl 2-oxidanylidene-7-(phenylmethyl)azepane-1-carboxylate Openeye Name: tert-butyl 2-benzyl-7-oxo-azepane-1-carboxylate CAS Name: 2-oxo-7-(phenylmethyl)-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-7-oxoazepane-1-carboxylate Traditional Name: 2-benzyl-7-keto-azepane-1-carboxylic acid tert-butyl ester Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCCCC1=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C(CCCCC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H25NO3/c1-18(2,3)22-17(21)19-15(11-7-8-12-16(19)20)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3