tert-butyl 2-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)piperazin-1-yl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)piperazin-1-yl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[4-(2-carbamimidoyl-4-hydroxy-phenyl)piperazin-1-yl]phenoxy]acetate CAS Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-1-piperazinyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)piperazin-1-yl]phenoxy]acetate Traditional Name: 2-[4-[4-(2-amidino-4-hydroxy-phenyl)piperazino]phenoxy]acetic acid tert-butyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)O)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)O)C(=N)N

InChI

InChI=1S/C23H30N4O4/c1-23(2,3)31-21(29)15-30-18-7-4-16(5-8-18)26-10-12-27(13-11-26)20-9-6-17(28)14-19(20)22(24)25/h4-9,14,28H,10-13,15H2,1-3H3,(H3,24,25)