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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)NC2CCN(CC2)C)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=CC(=C1)NC2CCN(CC2)C)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

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