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

Systemtic Name: [5-ethyl-2-(2-hydroxyethyloxy)-3-prop-2-enyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride Openeye Name: [3-allyl-5-ethyl-2-(2-hydroxyethoxy)phenyl] 2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)acetic acid [5-ethyl-2-(2-hydroxyethoxy)-3-prop-2-enylphenyl] ester hydrochloride IUPAC Name: [5-ethyl-2-(2-hydroxyethoxy)-3-prop-2-enylphenyl] 2-(4-carbamimidoylanilino)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)acetic acid [3-allyl-5-ethyl-2-(2-hydroxyethoxy)phenyl] ester hydrochloride Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCO)CC=C.Cl

Isomeric SMILES

CCC1=CC(=C(C(=C1)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCO)CC=C.Cl

InChI

InChI=1S/C22H27N3O4.ClH/c1-3-5-17-12-15(4-2)13-19(21(17)28-11-10-26)29-20(27)14-25-18-8-6-16(7-9-18)22(23)24;/h3,6-9,12-13,25-26H,1,4-5,10-11,14H2,2H3,(H3,23,24);1H