4-(diethylamino)but-2-ynyl 2-(4-bromophenyl)propanoate; ethanedioate

Systemtic Name: 4-(diethylamino)but-2-ynyl 2-(4-bromophenyl)propanoate; ethanedioate Openeye Name: 4-(diethylamino)but-2-ynyl 2-(4-bromophenyl)propanoate; oxalate CAS Name: 2-(4-bromophenyl)propanoic acid 4-(diethylamino)but-2-ynyl ester; oxalate IUPAC Name: 4-(diethylamino)but-2-ynyl 2-(4-bromophenyl)propanoate; oxalate Traditional Name: 2-(4-bromophenyl)propionic acid 4-(diethylamino)but-2-ynyl ester; oxalate Formula: C19H22BrNO6-2 MolecularWeight: 440.28508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC(=O)C(C)C1=CC=C(C=C1)Br.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCN(CC)CC#CCOC(=O)C(C)C1=CC=C(C=C1)Br.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C17H22BrNO2.C2H2O4/c1-4-19(5-2)12-6-7-13-21-17(20)14(3)15-8-10-16(18)11-9-15;3-1(4)2(5)6/h8-11,14H,4-5,12-13H2,1-3H3;(H,3,4)(H,5,6)/p-2