tert-butyl (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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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)OCCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H26N2O5/c1-23(2,3)30-22(27)25-14-16-7-5-4-6-15(16)12-18(25)21(26)24-17-8-9-19-20(13-17)29-11-10-28-19/h4-9,13,18H,10-12,14H2,1-3H3,(H,24,26)/t18-/m0/s1