tert-butyl (3S)-3-piperidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-piperidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[oxo(1-piperidinyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCCCC3

InChI

InChI=1S/C20H28N2O3/c1-20(2,3)25-19(24)22-14-16-10-6-5-9-15(16)13-17(22)18(23)21-11-7-4-8-12-21/h5-6,9-10,17H,4,7-8,11-14H2,1-3H3/t17-/m0/s1