2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-oxidanylidenebutoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-oxidanylidenebutoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-oxobutoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-oxobutoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-oxobutoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(2-ketobutoxy)phenyl]acetic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)COC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC

Isomeric SMILES

CCC(=O)COC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC

InChI

InChI=1S/C21H25N3O5/c1-3-16(25)12-29-18-10-14(9-17(11-18)28-4-2)19(21(26)27)24-15-7-5-13(6-8-15)20(22)23/h5-11,19,24H,3-4,12H2,1-2H3,(H3,22,23)(H,26,27)