(7S)-10-methoxycarbonyl-9-oxidanylidene-8-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7-carboxylic acid

Systemtic Name: (7S)-10-methoxycarbonyl-9-oxidanylidene-8-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7-carboxylic acid Openeye Name: (7S)-10-methoxycarbonyl-9-oxo-8-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7-carboxylic acid CAS Name: (7S)-10-methoxycarbonyl-9-oxo-8-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7-carboxylic acid IUPAC Name: (7S)-10-methoxycarbonyl-9-oxo-8-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7-carboxylic acid Traditional Name: (7S)-10-carbomethoxy-9-keto-8-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7-carboxylic acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CCCCCC(NC1=O)C(=O)O

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CCCCC[C@H](NC1=O)C(=O)O

InChI

InChI=1S/C18H23NO5/c1-24-18(23)14-11-13-9-6-5-8-12(13)7-3-2-4-10-15(17(21)22)19-16(14)20/h5-6,8-9,14-15H,2-4,7,10-11H2,1H3,(H,19,20)(H,21,22)/t14?,15-/m0/s1