2-[(4-carbamimidoylphenyl)amino]-2-[5-chloranyl-2-(2-hydroxyethyloxy)-3-prop-2-enyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-chloranyl-2-(2-hydroxyethyloxy)-3-prop-2-enyl-phenyl]ethanoic acid Openeye Name: 2-[3-allyl-5-chloro-2-(2-hydroxyethoxy)phenyl]-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-chloro-2-(2-hydroxyethoxy)-3-prop-2-enylphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-chloro-2-(2-hydroxyethoxy)-3-prop-2-enylphenyl]acetic acid Traditional Name: 2-[3-allyl-5-chloro-2-(2-hydroxyethoxy)phenyl]-2-(4-amidinoanilino)acetic acid Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC(=CC(=C1OCCO)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)Cl

Isomeric SMILES

C=CCC1=CC(=CC(=C1OCCO)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)Cl

InChI

InChI=1S/C20H22ClN3O4/c1-2-3-13-10-14(21)11-16(18(13)28-9-8-25)17(20(26)27)24-15-6-4-12(5-7-15)19(22)23/h2,4-7,10-11,17,24-25H,1,3,8-9H2,(H3,22,23)(H,26,27)