tert-butyl (3S)-3-(1,3-benzodioxol-5-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-(1,3-benzodioxol-5-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(1,3-benzodioxol-5-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(1,3-benzodioxol-5-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(1,3-benzodioxol-5-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O5/c1-22(2,3)29-21(26)24-12-15-7-5-4-6-14(15)10-17(24)20(25)23-16-8-9-18-19(11-16)28-13-27-18/h4-9,11,17H,10,12-13H2,1-3H3,(H,23,25)/t17-/m0/s1