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

Systemtic Name: butyl 2-oxidanyl-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride Openeye Name: butyl 2-hydroxy-4-[3-(isopropylamino)propanoylamino]benzoate hydrochloride CAS Name: 2-hydroxy-4-[[1-oxo-3-(propan-2-ylamino)propyl]amino]benzoic acid butyl ester hydrochloride IUPAC Name: butyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride Traditional Name: 2-hydroxy-4-[3-(isopropylamino)propanoylamino]benzoic acid butyl ester hydrochloride Formula: C17H27ClN2O4 MolecularWeight: 358.86028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4.ClH/c1-4-5-10-23-17(22)14-7-6-13(11-15(14)20)19-16(21)8-9-18-12(2)3;/h6-7,11-12,18,20H,4-5,8-10H2,1-3H3,(H,19,21);1H