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

Systemtic Name: [4-(2-phenylpropan-2-yl)phenyl] 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: [4-(1-methyl-1-phenyl-ethyl)phenyl] 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid [4-(2-phenylpropan-2-yl)phenyl] ester IUPAC Name: [4-(2-phenylpropan-2-yl)phenyl] 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-cumylphenyl) ester Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CN=C(N)N

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CN=C(N)N

InChI

InChI=1S/C24H31N3O2/c1-24(2,19-6-4-3-5-7-19)20-12-14-21(15-13-20)29-22(28)18-10-8-17(9-11-18)16-27-23(25)26/h3-7,12-15,17-18H,8-11,16H2,1-2H3,(H4,25,26,27)