tert-butyl 3-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenyl]propanoate

Systemtic Name: tert-butyl 3-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenyl]propanoate Openeye Name: tert-butyl 3-[4-[4-(5-carbamimidoyl-2-pyridyl)piperazin-1-yl]phenyl]propanoate CAS Name: 3-[4-[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(5-amidino-2-pyridyl)piperazino]phenyl]propionic acid tert-butyl ester Formula: C23H31N5O2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=N)N

InChI

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