2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxyethyl 1-ethanimidoyl-4-methyl-piperidine-4-carboxylate

Systemtic Name: 2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxyethyl 1-ethanimidoyl-4-methyl-piperidine-4-carboxylate Openeye Name: 2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]oxyethyl 1-ethanimidoyl-4-methyl-piperidine-4-carboxylate CAS Name: 1-(1-iminoethyl)-4-methyl-4-piperidinecarboxylic acid 2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]ethyl ester IUPAC Name: 2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxyethyl 1-ethanimidoyl-4-methylpiperidine-4-carboxylate Traditional Name: 1-acetimidoyl-4-methyl-isonipecotic acid 2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]oxyethyl ester Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)(C)C(=O)OCCOC2=CC(=C(N)N)C=CC2=O

Isomeric SMILES

CC(=N)N1CCC(CC1)(C)C(=O)OCCOC2=CC(=C(N)N)C=CC2=O

InChI

InChI=1S/C18H26N4O4/c1-12(19)22-7-5-18(2,6-8-22)17(24)26-10-9-25-15-11-13(16(20)21)3-4-14(15)23/h3-4,11,19H,5-10,20-21H2,1-2H3