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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)CN2CCN(CC2)C)CC(=O)ONC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)CN2CCN(CC2)C)CC(=O)ONC3=CC=C(C=C3)C(=N)N

InChI

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