2-diethylaminoethyl 4-[4-(2-diethylaminoethyloxycarbonyl)phenyl]benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 4-[4-(2-diethylaminoethyloxycarbonyl)phenyl]benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 4-[4-(2-diethylaminoethyloxycarbonyl)phenyl]benzoate hydrochloride CAS Name: 4-[4-[2-diethylaminoethyloxy(oxo)methyl]phenyl]benzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-[4-(2-diethylaminoethyloxycarbonyl)phenyl]benzoate hydrochloride Traditional Name: 4-[4-(2-diethylaminoethyloxycarbonyl)phenyl]benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C26H37ClN2O4 MolecularWeight: 477.03598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCN(CC)CC.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCCN(CC)CC.Cl

InChI

InChI=1S/C26H36N2O4.ClH/c1-5-27(6-2)17-19-31-25(29)23-13-9-21(10-14-23)22-11-15-24(16-12-22)26(30)32-20-18-28(7-3)8-4;/h9-16H,5-8,17-20H2,1-4H3;1H