methyl 2-oxidanyl-4-[3-[(phenylmethyl)amino]propanoylamino]benzoate hydrochloride

Systemtic Name: methyl 2-oxidanyl-4-[3-[(phenylmethyl)amino]propanoylamino]benzoate hydrochloride Openeye Name: methyl 4-[3-(benzylamino)propanoylamino]-2-hydroxy-benzoate hydrochloride CAS Name: 2-hydroxy-4-[[1-oxo-3-[(phenylmethyl)amino]propyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[3-(benzylamino)propanoylamino]-2-hydroxybenzoate hydrochloride Traditional Name: 4-[3-(benzylamino)propanoylamino]-2-hydroxy-benzoic acid methyl ester hydrochloride Formula: C18H21ClN2O4 MolecularWeight: 364.82334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)NC(=O)CCNCC2=CC=CC=C2)O.Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)NC(=O)CCNCC2=CC=CC=C2)O.Cl

InChI

InChI=1S/C18H20N2O4.ClH/c1-24-18(23)15-8-7-14(11-16(15)21)20-17(22)9-10-19-12-13-5-3-2-4-6-13;/h2-8,11,19,21H,9-10,12H2,1H3,(H,20,22);1H