(4S,6R)-1-methyl-4-oxidanyl-6-phenylmethoxy-4-(phenylmethoxymethyl)azocan-5-one

Systemtic Name: (4S,6R)-1-methyl-4-oxidanyl-6-phenylmethoxy-4-(phenylmethoxymethyl)azocan-5-one Openeye Name: (4S,6R)-6-benzyloxy-4-(benzyloxymethyl)-4-hydroxy-1-methyl-azocan-5-one CAS Name: (4S,6R)-4-hydroxy-1-methyl-6-phenylmethoxy-4-(phenylmethoxymethyl)-5-azocanone IUPAC Name: (4S,6R)-4-hydroxy-1-methyl-6-phenylmethoxy-4-(phenylmethoxymethyl)azocan-5-one Traditional Name: (4S,6R)-6-benzoxy-4-(benzoxymethyl)-4-hydroxy-1-methyl-azocan-5-one Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(=O)C(CC1)(COCC2=CC=CC=C2)O)OCC3=CC=CC=C3

Isomeric SMILES

CN1CC[C@H](C(=O)[C@](CC1)(COCC2=CC=CC=C2)O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H29NO4/c1-24-14-12-21(28-17-20-10-6-3-7-11-20)22(25)23(26,13-15-24)18-27-16-19-8-4-2-5-9-19/h2-11,21,26H,12-18H2,1H3/t21-,23+/m1/s1