tert-butyl 4-[2-(2-ethoxy-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinolin-7-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2-ethoxy-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinolin-7-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-ethoxy-2-oxo-ethyl)-3,4-dihydro-1H-isoquinolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[2-(2-ethoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-ethoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-ethoxy-2-keto-ethyl)-3,4-dihydro-1H-isoquinolin-7-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC2=C(C1)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1CCC2=C(C1)C=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O4/c1-5-28-20(26)16-23-9-8-17-6-7-19(14-18(17)15-23)24-10-12-25(13-11-24)21(27)29-22(2,3)4/h6-7,14H,5,8-13,15-16H2,1-4H3