tert-butyl 2-[(E)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(E)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(E)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-prop-1-enyl]pyrrole-1-carboxylate CAS Name: 2-[(E)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)prop-1-enyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)prop-1-enyl]pyrrole-1-carboxylate Traditional Name: 2-[(E)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-prop-1-enyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C=C(C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-21(2,3)29-20(26)23-12-8-11-16(23)13-17(18(24)27-4)22-19(25)28-14-15-9-6-5-7-10-15/h5-13H,14H2,1-4H3,(H,22,25)/b17-13+