[2-(dimethylamino)-1-phenyl-ethyl] 4-azanylbenzoate hydrate hydrochloride

Systemtic Name: [2-(dimethylamino)-1-phenyl-ethyl] 4-azanylbenzoate hydrate hydrochloride Openeye Name: [2-(dimethylamino)-1-phenyl-ethyl] 4-aminobenzoate hydrate hydrochloride CAS Name: 4-aminobenzoic acid [2-(dimethylamino)-1-phenylethyl] ester hydrate hydrochloride IUPAC Name: [2-(dimethylamino)-1-phenylethyl] 4-aminobenzoate hydrate hydrochloride Traditional Name: 4-aminobenzoic acid [2-(dimethylamino)-1-phenyl-ethyl] ester hydrate hydrochloride Formula: C17H23ClN2O3 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N.O.Cl

Isomeric SMILES

CN(C)CC(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N.O.Cl

InChI

InChI=1S/C17H20N2O2.ClH.H2O/c1-19(2)12-16(13-6-4-3-5-7-13)21-17(20)14-8-10-15(18)11-9-14;;/h3-11,16H,12,18H2,1-2H3;1H;1H2