pentyl 2-oxidanyl-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride

Systemtic Name: pentyl 2-oxidanyl-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride Openeye Name: pentyl 2-hydroxy-4-[3-(isopropylamino)propanoylamino]benzoate hydrochloride CAS Name: 2-hydroxy-4-[[1-oxo-3-(propan-2-ylamino)propyl]amino]benzoic acid pentyl ester hydrochloride IUPAC Name: pentyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride Traditional Name: 2-hydroxy-4-[3-(isopropylamino)propanoylamino]benzoic acid amyl ester hydrochloride Formula: C18H29ClN2O4 MolecularWeight: 372.88686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(C)C)O.Cl

Isomeric SMILES

CCCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(C)C)O.Cl

InChI

InChI=1S/C18H28N2O4.ClH/c1-4-5-6-11-24-18(23)15-8-7-14(12-16(15)21)20-17(22)9-10-19-13(2)3;/h7-8,12-13,19,21H,4-6,9-11H2,1-3H3,(H,20,22);1H