2-[(4-carbamimidoylphenyl)amino]-2-[3-ethanoyl-5-ethyl-2-(2-hydroxyethyloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethanoyl-5-ethyl-2-(2-hydroxyethyloxy)phenyl]ethanoic acid Openeye Name: 2-[3-acetyl-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-carbamimidoylanilino)acetic acid CAS Name: 2-[3-acetyl-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-carbamimidoylanilino)acetic acid IUPAC Name: 2-[3-acetyl-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-carbamimidoylanilino)acetic acid Traditional Name: 2-[3-acetyl-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-amidinoanilino)acetic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C(=O)C)OCCO)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C(=C1)C(=O)C)OCCO)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H25N3O5/c1-3-13-10-16(12(2)26)19(29-9-8-25)17(11-13)18(21(27)28)24-15-6-4-14(5-7-15)20(22)23/h4-7,10-11,18,24-25H,3,8-9H2,1-2H3,(H3,22,23)(H,27,28)