diethyl 2-[[2-methyl-4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[2-methyl-4-(prop-2-ynylamino)phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[2-methyl-4-(prop-2-ynylamino)benzoyl]amino]pentanedioate CAS Name: 2-[[[2-methyl-4-(prop-2-ynylamino)phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-methyl-4-(prop-2-ynylamino)benzoyl]amino]pentanedioate Traditional Name: 2-[[2-methyl-4-(propargylamino)benzoyl]amino]glutaric acid diethyl ester Formula: C20H26N2O5 MolecularWeight: 374.43084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(C=C(C=C1)NCC#C)C

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(C=C(C=C1)NCC#C)C

InChI

InChI=1S/C20H26N2O5/c1-5-12-21-15-8-9-16(14(4)13-15)19(24)22-17(20(25)27-7-3)10-11-18(23)26-6-2/h1,8-9,13,17,21H,6-7,10-12H2,2-4H3,(H,22,24)