N-(2-diethylaminoethyl)-N-(4-hydroxyphenyl)-3,4,5-trimethoxy-benzamide hydrate hydrochloride

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-hydroxyphenyl)-3,4,5-trimethoxy-benzamide hydrate hydrochloride Openeye Name: N-(2-diethylaminoethyl)-N-(4-hydroxyphenyl)-3,4,5-trimethoxy-benzamide hydrate hydrochloride CAS Name: N-(2-diethylaminoethyl)-N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide hydrate hydrochloride IUPAC Name: N-(2-diethylaminoethyl)-N-(4-hydroxyphenyl)-3,4,5-trimethoxybenzamide hydrate hydrochloride Traditional Name: N-(2-diethylaminoethyl)-N-(4-hydroxyphenyl)-3,4,5-trimethoxy-benzamide hydrate hydrochloride Formula: C22H33ClN2O6 MolecularWeight: 456.96022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=CC=C(C=C1)O)C(=O)C2=CC(=C(C(=C2)OC)OC)OC.O.Cl

Isomeric SMILES

CCN(CC)CCN(C1=CC=C(C=C1)O)C(=O)C2=CC(=C(C(=C2)OC)OC)OC.O.Cl

InChI

InChI=1S/C22H30N2O5.ClH.H2O/c1-6-23(7-2)12-13-24(17-8-10-18(25)11-9-17)22(26)16-14-19(27-3)21(29-5)20(15-16)28-4;;/h8-11,14-15,25H,6-7,12-13H2,1-5H3;1H;1H2