2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-[(pyridin-2-ylamino)methyl]phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-[(pyridin-2-ylamino)methyl]phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[(2-pyridylamino)methyl]phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[(2-pyridinylamino)methyl]phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[(pyridin-2-ylamino)methyl]phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-[(2-pyridylamino)methyl]phenyl]acetic acid Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)CNC3=CC=CC=N3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)CNC3=CC=CC=N3

InChI

InChI=1S/C23H25N5O3/c1-2-31-19-12-15(14-27-20-5-3-4-10-26-20)11-17(13-19)21(23(29)30)28-18-8-6-16(7-9-18)22(24)25/h3-13,21,28H,2,14H2,1H3,(H3,24,25)(H,26,27)(H,29,30)