2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethyl-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride

Systemtic Name: 2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-ethyl-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride Openeye Name: 2-[4-(2-amino-2-oxo-ethoxy)-3-ethyl-phenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-[4-(2-amino-2-oxoethoxy)-3-ethylphenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride IUPAC Name: 2-[4-(2-amino-2-oxoethoxy)-3-ethylphenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[4-(2-amino-2-keto-ethoxy)-3-ethyl-phenyl]acetate hydrochloride Formula: C19H22ClN4O4- MolecularWeight: 405.85538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC(=O)N.Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC(=O)N.Cl

InChI

InChI=1S/C19H22N4O4.ClH/c1-2-11-9-13(5-8-15(11)27-10-16(20)24)17(19(25)26)23-14-6-3-12(4-7-14)18(21)22;/h3-9,17,23H,2,10H2,1H3,(H2,20,24)(H3,21,22)(H,25,26);1H/p-1