tert-butyl 2-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[4-(5-carbamimidoyl-2-pyridyl)piperazin-1-yl]phenoxy]acetate CAS Name: 2-[4-[4-(5-carbamimidoyl-2-pyridinyl)-1-piperazinyl]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(5-carbamimidoylpyridin-2-yl)piperazin-1-yl]phenoxy]acetate Traditional Name: 2-[4-[4-(5-amidino-2-pyridyl)piperazino]phenoxy]acetic acid tert-butyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-22(2,3)30-20(28)15-29-18-7-5-17(6-8-18)26-10-12-27(13-11-26)19-9-4-16(14-25-19)21(23)24/h4-9,14H,10-13,15H2,1-3H3,(H3,23,24)