methyl (8E)-4-oxidanylidene-1-(phenylmethyl)-2,3,5,6,7,10-hexahydroazecine-6-carboxylate

Systemtic Name: methyl (8E)-4-oxidanylidene-1-(phenylmethyl)-2,3,5,6,7,10-hexahydroazecine-6-carboxylate Openeye Name: methyl (8E)-1-benzyl-4-oxo-2,3,5,6,7,10-hexahydroazecine-6-carboxylate CAS Name: (8E)-4-oxo-1-(phenylmethyl)-2,3,5,6,7,10-hexahydroazecine-6-carboxylic acid methyl ester IUPAC Name: methyl (8E)-1-benzyl-4-oxo-2,3,5,6,7,10-hexahydroazecine-6-carboxylate Traditional Name: (8E)-1-benzyl-4-keto-2,3,5,6,7,10-hexahydroazecine-6-carboxylic acid methyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCN(CCC(=O)C1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1C/C=C/CN(CCC(=O)C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H23NO3/c1-22-18(21)16-9-5-6-11-19(12-10-17(20)13-16)14-15-7-3-2-4-8-15/h2-8,16H,9-14H2,1H3/b6-5+