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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(pyridin-4-ylmethoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(4-pyridylmethoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(pyridin-4-ylmethoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(pyridin-4-ylmethoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethyl-2-(4-pyridylmethoxy)phenyl]acetic acid Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2=CC=NC=C2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2=CC=NC=C2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H24N4O3/c1-2-15-3-8-20(30-14-16-9-11-26-12-10-16)19(13-15)21(23(28)29)27-18-6-4-17(5-7-18)22(24)25/h3-13,21,27H,2,14H2,1H3,(H3,24,25)(H,28,29)