2-diethylaminoethyl 4-[[4-(3,3-dimethylbut-1-ynyl)phenyl]carbonylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[4-(3,3-dimethylbut-1-ynyl)phenyl]carbonylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[4-(3,3-dimethylbut-1-ynyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-(3,3-dimethylbut-1-ynyl)phenyl]-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[4-(3,3-dimethylbut-1-ynyl)benzoyl]amino]benzoate Traditional Name: 4-[[4-(3,3-dimethylbut-1-ynyl)benzoyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C26H32N2O3 MolecularWeight: 420.54388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C#CC(C)(C)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C#CC(C)(C)C

InChI

InChI=1S/C26H32N2O3/c1-6-28(7-2)18-19-31-25(30)22-12-14-23(15-13-22)27-24(29)21-10-8-20(9-11-21)16-17-26(3,4)5/h8-15H,6-7,18-19H2,1-5H3,(H,27,29)