[(4-carbamimidoylphenyl)amino] 2-[3-ethyl-5-[(1-methylpiperidin-4-yl)amino]phenyl]ethanoate

Systemtic Name: [(4-carbamimidoylphenyl)amino] 2-[3-ethyl-5-[(1-methylpiperidin-4-yl)amino]phenyl]ethanoate Openeye Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-[(1-methyl-4-piperidyl)amino]phenyl]acetate CAS Name: 2-[3-ethyl-5-[(1-methyl-4-piperidinyl)amino]phenyl]acetic acid (4-carbamimidoylanilino) ester IUPAC Name: (4-carbamimidoylanilino) 2-[3-ethyl-5-[(1-methylpiperidin-4-yl)amino]phenyl]acetate Traditional Name: 2-[3-ethyl-5-[(1-methyl-4-piperidyl)amino]phenyl]acetic acid (4-amidinoanilino) ester Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)NC3CCN(CC3)C

Isomeric SMILES

CCC1=CC(=CC(=C1)CC(=O)ONC2=CC=C(C=C2)C(=N)N)NC3CCN(CC3)C

InChI

InChI=1S/C23H31N5O2/c1-3-16-12-17(14-21(13-16)26-19-8-10-28(2)11-9-19)15-22(29)30-27-20-6-4-18(5-7-20)23(24)25/h4-7,12-14,19,26-27H,3,8-11,15H2,1-2H3,(H3,24,25)