O5-ethyl O3-methyl (4S,5S)-4-oxidanyl-1-(phenylmethyl)-4,5-dihydroazepine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl (4S,5S)-4-oxidanyl-1-(phenylmethyl)-4,5-dihydroazepine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl (4S,5S)-1-benzyl-4-hydroxy-4,5-dihydroazepine-3,5-dicarboxylate CAS Name: (4S,5S)-4-hydroxy-1-(phenylmethyl)-4,5-dihydroazepine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl (4S,5S)-1-benzyl-4-hydroxy-4,5-dihydroazepine-3,5-dicarboxylate Traditional Name: (4S,5S)-1-benzyl-4-hydroxy-4,5-dihydroazepine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C=CN(C=C(C1O)C(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1C=CN(C=C([C@H]1O)C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C18H21NO5/c1-3-24-18(22)14-9-10-19(11-13-7-5-4-6-8-13)12-15(16(14)20)17(21)23-2/h4-10,12,14,16,20H,3,11H2,1-2H3/t14-,16-/m0/s1