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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)CNC2=CC=CC=N2)CC(=O)ONC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)CNC2=CC=CC=N2)CC(=O)ONC3=CC=C(C=C3)C(=N)N

InChI

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