(2-morpholin-4-yl-1-phenyl-ethyl) 4-azanylbenzoate hydrate dihydrochloride

Systemtic Name: (2-morpholin-4-yl-1-phenyl-ethyl) 4-azanylbenzoate hydrate dihydrochloride Openeye Name: (2-morpholino-1-phenyl-ethyl) 4-aminobenzoate hydrate dihydrochloride CAS Name: 4-aminobenzoic acid [2-(4-morpholinyl)-1-phenylethyl] ester hydrate dihydrochloride IUPAC Name: (2-morpholin-4-yl-1-phenylethyl) 4-aminobenzoate hydrate dihydrochloride Traditional Name: 4-aminobenzoic acid (2-morpholino-1-phenyl-ethyl) ester hydrate dihydrochloride Formula: C38H48Cl2N4O7 MolecularWeight: 743.71632

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N.C1COCCN1CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N.O.Cl.Cl

Isomeric SMILES

C1COCCN1CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N.C1COCCN1CC(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N.O.Cl.Cl

InChI

InChI=1S/2C19H22N2O3.2ClH.H2O/c2*20-17-8-6-16(7-9-17)19(22)24-18(15-4-2-1-3-5-15)14-21-10-12-23-13-11-21;;;/h2*1-9,18H,10-14,20H2;2*1H;1H2