tert-butyl (3S)-3-[(2S)-2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(2S)-2-(furan-2-ylmethylcarbamoyl)pyrrolidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[(2S)-2-(2-furylmethylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[(2S)-2-[(2-furanylmethylamino)-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2S)-2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[(2S)-2-(2-furfurylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCC3C(=O)NCC4=CC=CO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCC[C@H]3C(=O)NCC4=CC=CO4

InChI

InChI=1S/C25H31N3O5/c1-25(2,3)33-24(31)28-16-18-9-5-4-8-17(18)14-21(28)23(30)27-12-6-11-20(27)22(29)26-15-19-10-7-13-32-19/h4-5,7-10,13,20-21H,6,11-12,14-16H2,1-3H3,(H,26,29)/t20-,21-/m0/s1