[4-(3-ethoxy-3-oxidanylidene-propanoyl)phenyl] 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: [4-(3-ethoxy-3-oxidanylidene-propanoyl)phenyl] 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: [4-(3-ethoxy-3-oxo-propanoyl)phenyl] 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid [4-(3-ethoxy-1,3-dioxopropyl)phenyl] ester IUPAC Name: [4-(3-ethoxy-3-oxopropanoyl)phenyl] 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid [4-(3-ethoxy-3-keto-propanoyl)phenyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN=C(N)N

Isomeric SMILES

CCOC(=O)CC(=O)C1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN=C(N)N

InChI

InChI=1S/C20H27N3O5/c1-2-27-18(25)11-17(24)14-7-9-16(10-8-14)28-19(26)15-5-3-13(4-6-15)12-23-20(21)22/h7-10,13,15H,2-6,11-12H2,1H3,(H4,21,22,23)