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

Systemtic Name: tert-butyl (3S)-3-[4-(furan-2-ylmethylcarbamoyl)piperidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[4-(2-furylmethylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[4-[(2-furanylmethylamino)-oxomethyl]-1-piperidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-(furan-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[4-(2-furfurylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(CC3)C(=O)NCC4=CC=CO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N3CCC(CC3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C26H33N3O5/c1-26(2,3)34-25(32)29-17-20-8-5-4-7-19(20)15-22(29)24(31)28-12-10-18(11-13-28)23(30)27-16-21-9-6-14-33-21/h4-9,14,18,22H,10-13,15-17H2,1-3H3,(H,27,30)/t22-/m0/s1