tert-butyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenyl]propanoate

Systemtic Name: tert-butyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenyl]propanoate Openeye Name: tert-butyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenyl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)piperazino]phenyl]propionic acid tert-butyl ester Formula: C24H32N4O2 MolecularWeight: 408.53648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O2/c1-24(2,3)30-22(29)13-6-18-4-9-20(10-5-18)27-14-16-28(17-15-27)21-11-7-19(8-12-21)23(25)26/h4-5,7-12H,6,13-17H2,1-3H3,(H3,25,26)