tert-butyl 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1-piperidyl]acetate CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetate Traditional Name: 2-[4-[4-(4-amidinophenyl)piperazino]piperidino]acetic acid tert-butyl ester Formula: C22H35N5O2 MolecularWeight: 401.5456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H35N5O2/c1-22(2,3)29-20(28)16-25-10-8-19(9-11-25)27-14-12-26(13-15-27)18-6-4-17(5-7-18)21(23)24/h4-7,19H,8-16H2,1-3H3,(H3,23,24)