tert-butyl (3S)-3-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[2-(2-furanylmethylamino)-2-oxoethyl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[2-(2-furfurylamino)-2-keto-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H27N3O5/c1-22(2,3)30-21(28)25-14-16-8-5-4-7-15(16)11-18(25)20(27)24-13-19(26)23-12-17-9-6-10-29-17/h4-10,18H,11-14H2,1-3H3,(H,23,26)(H,24,27)/t18-/m0/s1