tert-butyl 4-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C21H27ClN2O4/c1-5-14-10-18-16(12-17(14)22)15(11-19(25)27-18)13-23-6-8-24(9-7-23)20(26)28-21(2,3)4/h10-12H,5-9,13H2,1-4H3