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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[(4-methyl-1-piperazinyl)methyl]phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-[(4-methylpiperazino)methyl]phenyl]acetic acid Formula: C23H31N5O3 MolecularWeight: 425.52394

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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)CN3CCN(CC3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)CN3CCN(CC3)C

InChI

InChI=1S/C23H31N5O3/c1-3-31-20-13-16(15-28-10-8-27(2)9-11-28)12-18(14-20)21(23(29)30)26-19-6-4-17(5-7-19)22(24)25/h4-7,12-14,21,26H,3,8-11,15H2,1-2H3,(H3,24,25)(H,29,30)