tert-butyl (3S)-3-(5-methyl-4-propyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-(5-methyl-4-propyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(5-methyl-4-propyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-(5-methyl-4-propyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(5-methyl-4-propyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(5-methyl-4-propyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=N1)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCC1=C(NC(=N1)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H29N3O2/c1-6-9-17-14(2)22-19(23-17)18-12-15-10-7-8-11-16(15)13-24(18)20(25)26-21(3,4)5/h7-8,10-11,18H,6,9,12-13H2,1-5H3,(H,22,23)/t18-/m0/s1