cyclohexylmethyl 4-[4-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxyphenyl]benzoate

Systemtic Name: cyclohexylmethyl 4-[4-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxyphenyl]benzoate Openeye Name: cyclohexylmethyl 4-[4-[4-(guanidinomethyl)cyclohexanecarbonyl]oxyphenyl]benzoate CAS Name: 4-[4-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethoxy]phenyl]benzoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 4-[4-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxyphenyl]benzoate Traditional Name: 4-[4-[4-(guanidinomethyl)cyclohexanecarbonyl]oxyphenyl]benzoic acid cyclohexylmethyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CN=C(N)N

Isomeric SMILES

C1CCC(CC1)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CN=C(N)N

InChI

InChI=1S/C29H37N3O4/c30-29(31)32-18-20-6-8-25(9-7-20)28(34)36-26-16-14-23(15-17-26)22-10-12-24(13-11-22)27(33)35-19-21-4-2-1-3-5-21/h10-17,20-21,25H,1-9,18-19H2,(H4,30,31,32)