(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C19H28ClN3O2 MolecularWeight: 365.89752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2CCC(CC2)CN=C(N)N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2CCC(CC2)CN=C(N)N

InChI

InChI=1S/C19H28ClN3O2/c1-11(2)15-9-16(20)12(3)8-17(15)25-18(24)14-6-4-13(5-7-14)10-23-19(21)22/h8-9,11,13-14H,4-7,10H2,1-3H3,(H4,21,22,23)