2-[3-(3-aminophenyl)-5-ethoxy-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride

Systemtic Name: 2-[3-(3-aminophenyl)-5-ethoxy-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride Openeye Name: 2-[3-(3-aminophenyl)-5-ethoxy-phenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-[3-(3-aminophenyl)-5-ethoxyphenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride IUPAC Name: 2-[3-(3-aminophenyl)-5-ethoxyphenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-(3-aminophenyl)-5-ethoxy-phenyl]acetate hydrochloride Formula: C23H24ClN4O3- MolecularWeight: 439.91466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)N.Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)N.Cl

InChI

InChI=1S/C23H24N4O3.ClH/c1-2-30-20-12-16(15-4-3-5-18(24)11-15)10-17(13-20)21(23(28)29)27-19-8-6-14(7-9-19)22(25)26;/h3-13,21,27H,2,24H2,1H3,(H3,25,26)(H,28,29);1H/p-1