2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[(1-methyl-4-piperidyl)oxy]phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[(1-methyl-4-piperidinyl)oxy]phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-[(1-methyl-4-piperidyl)oxy]phenyl]acetic acid Formula: C23H30N4O4 MolecularWeight: 426.5087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2CCN(CC2)C)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2CCN(CC2)C)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H30N4O4/c1-3-30-19-12-16(13-20(14-19)31-18-8-10-27(2)11-9-18)21(23(28)29)26-17-6-4-15(5-7-17)22(24)25/h4-7,12-14,18,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29)