(phenylmethyl) 2-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxy-3-phenyl-benzoate

Systemtic Name: (phenylmethyl) 2-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxy-3-phenyl-benzoate Openeye Name: benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxy-3-phenyl-benzoate CAS Name: 2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethoxy]-3-phenylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxy-3-phenylbenzoate Traditional Name: 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxy-3-phenyl-benzoic acid benzyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=C(C=CC=C2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=C(C=CC=C2C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4/c30-29(31)32-18-20-14-16-23(17-15-20)27(33)36-26-24(22-10-5-2-6-11-22)12-7-13-25(26)28(34)35-19-21-8-3-1-4-9-21/h1-13,20,23H,14-19H2,(H4,30,31,32)