5-[2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-1-oxidanyl-ethyl]-2-phenylmethoxy-benzamide hydrochloride

Systemtic Name: 5-[2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-1-oxidanyl-ethyl]-2-phenylmethoxy-benzamide hydrochloride Openeye Name: 2-benzyloxy-5-[1-hydroxy-2-(isochroman-1-ylmethylamino)ethyl]benzamide hydrochloride CAS Name: 5-[2-(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)-1-hydroxyethyl]-2-phenylmethoxybenzamide hydrochloride IUPAC Name: 5-[2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-1-hydroxyethyl]-2-phenylmethoxybenzamide hydrochloride Traditional Name: 2-benzoxy-5-[1-hydroxy-2-(isochroman-1-ylmethylamino)ethyl]benzamide hydrochloride Formula: C26H29ClN2O4 MolecularWeight: 468.97246

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNCC(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C(=O)N)O.Cl

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNCC(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C(=O)N)O.Cl

InChI

InChI=1S/C26H28N2O4.ClH/c27-26(30)22-14-20(10-11-24(22)32-17-18-6-2-1-3-7-18)23(29)15-28-16-25-21-9-5-4-8-19(21)12-13-31-25;/h1-11,14,23,25,28-29H,12-13,15-17H2,(H2,27,30);1H