2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-5-(pyridin-3-ylmethylamino)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-5-(pyridin-3-ylmethylamino)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(3-pyridylmethylamino)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(3-pyridinylmethylamino)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(pyridin-3-ylmethylamino)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethyl-5-(3-pyridylmethylamino)phenyl]acetic acid Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)NCC2=CN=CC=C2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=CC(=C1)NCC2=CN=CC=C2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H25N5O2/c1-2-15-10-18(12-20(11-15)27-14-16-4-3-9-26-13-16)21(23(29)30)28-19-7-5-17(6-8-19)22(24)25/h3-13,21,27-28H,2,14H2,1H3,(H3,24,25)(H,29,30)