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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(morpholin-4-ylmethyl)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(morpholinomethyl)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(4-morpholinylmethyl)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(morpholin-4-ylmethyl)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(morpholinomethyl)phenyl]acetic acid Formula: C22H28N4O4 MolecularWeight: 412.48212

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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)CN3CCOCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)CN3CCOCC3

InChI

InChI=1S/C22H28N4O4/c1-2-30-19-12-15(14-26-7-9-29-10-8-26)11-17(13-19)20(22(27)28)25-18-5-3-16(4-6-18)21(23)24/h3-6,11-13,20,25H,2,7-10,14H2,1H3,(H3,23,24)(H,27,28)