tert-butyl 7-ethanoyl-3,4,5,6-tetrahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-ethanoyl-3,4,5,6-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-acetyl-3,4,5,6-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: 7-acetyl-3,4,5,6-tetrahydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-acetyl-3,4,5,6-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-acetyl-3,4,5,6-tetrahydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(CC1)CCN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(CC1)CCN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H23NO3/c1-11(18)13-6-5-12-7-8-17(10-14(12)9-13)15(19)20-16(2,3)4/h9H,5-8,10H2,1-4H3