6-[(E)-3,3-dimethylbut-1-enyl]-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyridine-1-carboxylic acid

Systemtic Name: 6-[(E)-3,3-dimethylbut-1-enyl]-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyridine-1-carboxylic acid Openeye Name: 3-(benzyloxycarbonylamino)-6-[(E)-3,3-dimethylbut-1-enyl]-2-oxo-pyridine-1-carboxylic acid CAS Name: 6-[(E)-3,3-dimethylbut-1-enyl]-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinecarboxylic acid IUPAC Name: 6-[(E)-3,3-dimethylbut-1-enyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyridine-1-carboxylic acid Traditional Name: 3-(benzyloxycarbonylamino)-6-[(E)-3,3-dimethylbut-1-enyl]-2-keto-pyridine-1-carboxylic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=CC1=CC=C(C(=O)N1C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)/C=C/C1=CC=C(C(=O)N1C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5/c1-20(2,3)12-11-15-9-10-16(17(23)22(15)19(25)26)21-18(24)27-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,21,24)(H,25,26)/b12-11+