2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-morpholin-4-ylethoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-morpholin-4-ylethoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-morpholinoethoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[2-(4-morpholinyl)ethoxy]phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-morpholin-4-ylethoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(2-morpholinoethoxy)phenyl]acetic acid Formula: C23H30N4O5 MolecularWeight: 442.5081

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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)OCCN3CCOCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCCN3CCOCC3

InChI

InChI=1S/C23H30N4O5/c1-2-31-19-13-17(14-20(15-19)32-12-9-27-7-10-30-11-8-27)21(23(28)29)26-18-5-3-16(4-6-18)22(24)25/h3-6,13-15,21,26H,2,7-12H2,1H3,(H3,24,25)(H,28,29)