4-[[[2-(2-azanyl-2-oxidanylidene-ethoxy)naphthalen-1-yl]methylamino]methyl]benzoic acid hydrochloride

Systemtic Name: 4-[[[2-(2-azanyl-2-oxidanylidene-ethoxy)naphthalen-1-yl]methylamino]methyl]benzoic acid hydrochloride Openeye Name: 4-[[[2-(2-amino-2-oxo-ethoxy)-1-naphthyl]methylamino]methyl]benzoic acid hydrochloride CAS Name: 4-[[[2-(2-amino-2-oxoethoxy)-1-naphthalenyl]methylamino]methyl]benzoic acid hydrochloride IUPAC Name: 4-[[[2-(2-amino-2-oxoethoxy)naphthalen-1-yl]methylamino]methyl]benzoic acid hydrochloride Traditional Name: 4-[[[2-(2-amino-2-keto-ethoxy)-1-naphthyl]methylamino]methyl]benzoic acid hydrochloride Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2CNCC3=CC=C(C=C3)C(=O)O)OCC(=O)N.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2CNCC3=CC=C(C=C3)C(=O)O)OCC(=O)N.Cl

InChI

InChI=1S/C21H20N2O4.ClH/c22-20(24)13-27-19-10-9-15-3-1-2-4-17(15)18(19)12-23-11-14-5-7-16(8-6-14)21(25)26;/h1-10,23H,11-13H2,(H2,22,24)(H,25,26);1H