methyl 4-but-1-ynyl-3-(phenylmethoxycarbonylamino)benzoate

Systemtic Name: methyl 4-but-1-ynyl-3-(phenylmethoxycarbonylamino)benzoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-4-but-1-ynyl-benzoate CAS Name: 4-but-1-ynyl-3-(phenylmethoxycarbonylamino)benzoic acid methyl ester IUPAC Name: methyl 4-but-1-ynyl-3-(phenylmethoxycarbonylamino)benzoate Traditional Name: 3-(benzyloxycarbonylamino)-4-but-1-ynyl-benzoic acid methyl ester Formula: C20H19NO4 MolecularWeight: 337.36916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=C(C=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC#CC1=C(C=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H19NO4/c1-3-4-10-16-11-12-17(19(22)24-2)13-18(16)21-20(23)25-14-15-8-6-5-7-9-15/h5-9,11-13H,3,14H2,1-2H3,(H,21,23)