tert-butyl 3-phenyl-1-(phenylmethyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-phenyl-1-(phenylmethyl)-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-benzyl-3-phenyl-1H-isoquinoline-2-carboxylate CAS Name: 3-phenyl-1-(phenylmethyl)-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-3-phenyl-1H-isoquinoline-2-carboxylate Traditional Name: 1-benzyl-3-phenyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H27NO2 MolecularWeight: 397.50878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C2=CC=CC=C2C=C1C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(C2=CC=CC=C2C=C1C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H27NO2/c1-27(2,3)30-26(29)28-24(21-14-8-5-9-15-21)19-22-16-10-11-17-23(22)25(28)18-20-12-6-4-7-13-20/h4-17,19,25H,18H2,1-3H3