2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-propan-2-yloxy-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-propan-2-yloxy-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-isopropoxy-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-propan-2-yloxyphenyl)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-propan-2-yloxyphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(3-ethyl-4-isopropoxy-phenyl)acetate hydrochloride Formula: C20H25ClN3O3- MolecularWeight: 390.8838

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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)OC(C)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3.ClH/c1-4-13-11-15(7-10-17(13)26-12(2)3)18(20(24)25)23-16-8-5-14(6-9-16)19(21)22;/h5-12,18,23H,4H2,1-3H3,(H3,21,22)(H,24,25);1H/p-1