tert-butyl 3-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)piperazin-1-yl]phenyl]propanoate

Systemtic Name: tert-butyl 3-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)piperazin-1-yl]phenyl]propanoate Openeye Name: tert-butyl 3-[4-[4-(2-carbamimidoyl-4-hydroxy-phenyl)piperazin-1-yl]phenyl]propanoate CAS Name: 3-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-1-piperazinyl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)piperazin-1-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(2-amidino-4-hydroxy-phenyl)piperazino]phenyl]propionic acid tert-butyl ester Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O3/c1-24(2,3)31-22(30)11-6-17-4-7-18(8-5-17)27-12-14-28(15-13-27)21-10-9-19(29)16-20(21)23(25)26/h4-5,7-10,16,29H,6,11-15H2,1-3H3,(H3,25,26)