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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-5-pyridin-3-yloxy-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(3-pyridyloxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(3-pyridinyloxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-5-pyridin-3-yloxyphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethyl-5-(3-pyridyloxy)phenyl]acetic acid Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OC2=CN=CC=C2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=CC(=C1)OC2=CN=CC=C2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H22N4O3/c1-2-14-10-16(12-19(11-14)29-18-4-3-9-25-13-18)20(22(27)28)26-17-7-5-15(6-8-17)21(23)24/h3-13,20,26H,2H2,1H3,(H3,23,24)(H,27,28)