tert-butyl 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H35N3O3/c1-28(2,3)34-27(33)31-21-24-14-8-7-13-23(24)20-25(31)26(32)30-18-16-29(17-19-30)15-9-12-22-10-5-4-6-11-22/h4-14,25H,15-21H2,1-3H3/b12-9+