(4-tert-butyl-2-chloranyl-phenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate

Systemtic Name: (4-tert-butyl-2-chloranyl-phenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate Openeye Name: (4-tert-butyl-2-chloro-phenyl) 3-(1-carbamimidoyl-4-piperidyl)propanoate CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid (4-tert-butyl-2-chlorophenyl) ester IUPAC Name: (4-tert-butyl-2-chlorophenyl) 3-(1-carbamimidoylpiperidin-4-yl)propanoate Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid (4-tert-butyl-2-chloro-phenyl) ester Formula: C19H28ClN3O2 MolecularWeight: 365.89752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC(=O)CCC2CCN(CC2)C(=N)N)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC(=O)CCC2CCN(CC2)C(=N)N)Cl

InChI

InChI=1S/C19H28ClN3O2/c1-19(2,3)14-5-6-16(15(20)12-14)25-17(24)7-4-13-8-10-23(11-9-13)18(21)22/h5-6,12-13H,4,7-11H2,1-3H3,(H3,21,22)