[(1R,6S)-3-oxidanylidene-6-(phenylmethoxycarbonylamino)cyclohept-4-en-1-yl] benzoate

Systemtic Name: [(1R,6S)-3-oxidanylidene-6-(phenylmethoxycarbonylamino)cyclohept-4-en-1-yl] benzoate Openeye Name: [(1R,3S)-3-(benzyloxycarbonylamino)-6-oxo-cyclohept-4-en-1-yl] benzoate CAS Name: benzoic acid [(1R,6S)-3-oxo-6-(phenylmethoxycarbonylamino)-1-cyclohept-4-enyl] ester IUPAC Name: [(1R,6S)-3-oxo-6-(phenylmethoxycarbonylamino)cyclohept-4-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,3S)-3-(benzyloxycarbonylamino)-6-keto-cyclohept-4-en-1-yl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C=CC1NC(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1[C@H](CC(=O)C=C[C@H]1NC(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO5/c24-19-12-11-18(23-22(26)27-15-16-7-3-1-4-8-16)13-20(14-19)28-21(25)17-9-5-2-6-10-17/h1-12,18,20H,13-15H2,(H,23,26)/t18-,20-/m1/s1