2-[(4-carbamimidoylphenyl)amino]-2-[5-ethenyl-3-ethyl-2-(2-hydroxyethyloxy)phenyl]ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethenyl-3-ethyl-2-(2-hydroxyethyloxy)phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-2-(2-hydroxyethoxy)-5-vinyl-phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethenyl-3-ethyl-2-(2-hydroxyethoxy)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethenyl-3-ethyl-2-(2-hydroxyethoxy)phenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-ethyl-2-(2-hydroxyethoxy)-5-vinyl-phenyl]acetate hydrochloride Formula: C21H25ClN3O4- MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4.ClH/c1-3-13-11-14(4-2)19(28-10-9-25)17(12-13)18(21(26)27)24-16-7-5-15(6-8-16)20(22)23;/h3,5-8,11-12,18,24-25H,1,4,9-10H2,2H3,(H3,22,23)(H,26,27);1H/p-1