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

Systemtic Name: [2-(2-hydroxyethyloxy)-5-methyl-3-prop-2-enyl-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: [3-allyl-2-(2-hydroxyethoxy)-5-methyl-phenyl] 2-(4-carbamimidoylanilino)acetate CAS Name: 2-(4-carbamimidoylanilino)acetic acid [2-(2-hydroxyethoxy)-5-methyl-3-prop-2-enylphenyl] ester IUPAC Name: [2-(2-hydroxyethoxy)-5-methyl-3-prop-2-enylphenyl] 2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)acetic acid [3-allyl-2-(2-hydroxyethoxy)-5-methyl-phenyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCO)CC=C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC(=O)CNC2=CC=C(C=C2)C(=N)N)OCCO)CC=C

InChI

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