tert-butyl 3-ethanoyl-7-octoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-ethanoyl-7-octoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-acetyl-7-octoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-acetyl-7-octoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetyl-7-octoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-acetyl-7-octoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H37NO4 MolecularWeight: 403.55488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(CC(N(C2)C(=O)OC(C)(C)C)C(=O)C)C=C1

Isomeric SMILES

CCCCCCCCOC1=CC2=C(CC(N(C2)C(=O)OC(C)(C)C)C(=O)C)C=C1

InChI

InChI=1S/C24H37NO4/c1-6-7-8-9-10-11-14-28-21-13-12-19-16-22(18(2)26)25(17-20(19)15-21)23(27)29-24(3,4)5/h12-13,15,22H,6-11,14,16-17H2,1-5H3