2-[(4-carbamimidoylphenyl)amino]-2-(4-methoxy-2,5-dimethyl-phenyl)ethanoate ethanoate

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(4-methoxy-2,5-dimethyl-phenyl)ethanoate ethanoate Openeye Name: 2-(4-carbamimidoylanilino)-2-(4-methoxy-2,5-dimethyl-phenyl)acetate acetate CAS Name: 2-(4-carbamimidoylanilino)-2-(4-methoxy-2,5-dimethylphenyl)acetate acetate IUPAC Name: 2-(4-carbamimidoylanilino)-2-(4-methoxy-2,5-dimethylphenyl)acetate acetate Traditional Name: 2-(4-amidinoanilino)-2-(4-methoxy-2,5-dimethyl-phenyl)acetate acetate Formula: C20H23N3O5-2 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)C)OC.CC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)C)OC.CC(=O)[O-]

InChI

InChI=1S/C18H21N3O3.C2H4O2/c1-10-9-15(24-3)11(2)8-14(10)16(18(22)23)21-13-6-4-12(5-7-13)17(19)20;1-2(3)4/h4-9,16,21H,1-3H3,(H3,19,20)(H,22,23);1H3,(H,3,4)/p-2