ethyl 4-[(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-hydroxy-5-isopropyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2-hydroxy-5-isopropyl-3-keto-cyclohepta-1,4,6-trien-1-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=C(C(=O)C=C(C=C2)C(C)C)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=C(C(=O)C=C(C=C2)C(C)C)O

InChI

InChI=1S/C18H26N2O4/c1-4-24-18(23)20-9-7-19(8-10-20)12-15-6-5-14(13(2)3)11-16(21)17(15)22/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,22)