tert-butyl (3S)-3-(1-adamantylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-(1-adamantylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(1-adamantylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[(1-adamantylamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(1-adamantylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(1-adamantylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O3/c1-24(2,3)30-23(29)27-15-20-7-5-4-6-19(20)11-21(27)22(28)26-25-12-16-8-17(13-25)10-18(9-16)14-25/h4-7,16-18,21H,8-15H2,1-3H3,(H,26,28)/t16?,17?,18?,21-,25?/m0/s1