tert-butyl (4R,6R)-6-ethyl-2-methoxy-4-(phenylmethoxymethyl)azepane-1-carboxylate

Systemtic Name: tert-butyl (4R,6R)-6-ethyl-2-methoxy-4-(phenylmethoxymethyl)azepane-1-carboxylate Openeye Name: tert-butyl (4R,6R)-4-(benzyloxymethyl)-6-ethyl-2-methoxy-azepane-1-carboxylate CAS Name: (4R,6R)-6-ethyl-2-methoxy-4-(phenylmethoxymethyl)-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R,6R)-6-ethyl-2-methoxy-4-(phenylmethoxymethyl)azepane-1-carboxylate Traditional Name: (4R,6R)-4-(benzoxymethyl)-6-ethyl-2-methoxy-azepane-1-carboxylic acid tert-butyl ester Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CC(N(C1)C(=O)OC(C)(C)C)OC)COCC2=CC=CC=C2

Isomeric SMILES

CC[C@@H]1C[C@H](CC(N(C1)C(=O)OC(C)(C)C)OC)COCC2=CC=CC=C2

InChI

InChI=1S/C22H35NO4/c1-6-17-12-19(16-26-15-18-10-8-7-9-11-18)13-20(25-5)23(14-17)21(24)27-22(2,3)4/h7-11,17,19-20H,6,12-16H2,1-5H3/t17-,19-,20?/m1/s1