tert-butyl 3-(4-carbamimidoylphenyl)-2-oxidanylidene-8-azaspiro[4.5]dec-3-ene-8-carboxylate

Systemtic Name: tert-butyl 3-(4-carbamimidoylphenyl)-2-oxidanylidene-8-azaspiro[4.5]dec-3-ene-8-carboxylate Openeye Name: tert-butyl 3-(4-carbamimidoylphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate CAS Name: 3-(4-carbamimidoylphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-carbamimidoylphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate Traditional Name: 3-(4-amidinophenyl)-2-keto-8-azaspiro[4.5]dec-3-ene-8-carboxylic acid tert-butyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C(=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C(=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H27N3O3/c1-20(2,3)27-19(26)24-10-8-21(9-11-24)12-16(17(25)13-21)14-4-6-15(7-5-14)18(22)23/h4-7,12H,8-11,13H2,1-3H3,(H3,22,23)