(4-tert-butylphenyl) 4-(1-carbamimidoylpiperidin-4-yl)butanoate

Systemtic Name: (4-tert-butylphenyl) 4-(1-carbamimidoylpiperidin-4-yl)butanoate Openeye Name: (4-tert-butylphenyl) 4-(1-carbamimidoyl-4-piperidyl)butanoate CAS Name: 4-(1-carbamimidoyl-4-piperidinyl)butanoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 4-(1-carbamimidoylpiperidin-4-yl)butanoate Traditional Name: 4-(1-amidino-4-piperidyl)butyric acid (4-tert-butylphenyl) ester Formula: C20H31N3O2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)CCCC2CCN(CC2)C(=N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)CCCC2CCN(CC2)C(=N)N

InChI

InChI=1S/C20H31N3O2/c1-20(2,3)16-7-9-17(10-8-16)25-18(24)6-4-5-15-11-13-23(14-12-15)19(21)22/h7-10,15H,4-6,11-14H2,1-3H3,(H3,21,22)