2-ethoxy-3-[4-[2-[4-[(N'-methyl-N-phenyl-carbamimidoyl)amino]phenyl]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[4-[(N'-methyl-N-phenyl-carbamimidoyl)amino]phenyl]ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[4-[(N'-methyl-N-phenyl-carbamimidoyl)amino]phenyl]ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-[4-[[anilino(methylimino)methyl]amino]phenyl]ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[4-[(N'-methyl-N-phenylcarbamimidoyl)amino]phenyl]ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[4-[(N'-methyl-N-phenyl-amidino)amino]phenyl]ethoxy]phenyl]propionic acid Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)NC(=NC)NC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)NC(=NC)NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H31N3O4/c1-3-33-25(26(31)32)19-21-11-15-24(16-12-21)34-18-17-20-9-13-23(14-10-20)30-27(28-2)29-22-7-5-4-6-8-22/h4-16,25H,3,17-19H2,1-2H3,(H,31,32)(H2,28,29,30)