[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (3R)-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (3R)-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (3R)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (3R)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4CC5=CC=CC=C5CN4C(=O)C6=CC=CO6

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30N2O5/c30-24(28-27-12-17-8-18(13-27)10-19(9-17)14-27)16-34-26(32)22-11-20-4-1-2-5-21(20)15-29(22)25(31)23-6-3-7-33-23/h1-7,17-19,22H,8-16H2,(H,28,30)/t17?,18?,19?,22-,27?/m1/s1