3-azanylpropyl 4-oxidanyl-2,5-diphenoxy-pentanoate hydrochloride

Systemtic Name: 3-azanylpropyl 4-oxidanyl-2,5-diphenoxy-pentanoate hydrochloride Openeye Name: 3-aminopropyl 4-hydroxy-2,5-diphenoxy-pentanoate hydrochloride CAS Name: 4-hydroxy-2,5-diphenoxypentanoic acid 3-aminopropyl ester hydrochloride IUPAC Name: 3-aminopropyl 4-hydroxy-2,5-diphenoxypentanoate hydrochloride Traditional Name: 4-hydroxy-2,5-diphenoxy-valeric acid 3-aminopropyl ester hydrochloride Formula: C20H26ClNO5 MolecularWeight: 395.87714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CC(C(=O)OCCCN)OC2=CC=CC=C2)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC(CC(C(=O)OCCCN)OC2=CC=CC=C2)O.Cl

InChI

InChI=1S/C20H25NO5.ClH/c21-12-7-13-24-20(23)19(26-18-10-5-2-6-11-18)14-16(22)15-25-17-8-3-1-4-9-17;/h1-6,8-11,16,19,22H,7,12-15,21H2;1H