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

Systemtic Name: tert-butyl 3-phenyl-1-(phenylcarbonyl)-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-benzoyl-3-phenyl-1H-isoquinoline-2-carboxylate CAS Name: 1-benzoyl-3-phenyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzoyl-3-phenyl-1H-isoquinoline-2-carboxylate Traditional Name: 1-benzoyl-3-phenyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO3/c1-27(2,3)31-26(30)28-23(19-12-6-4-7-13-19)18-21-16-10-11-17-22(21)24(28)25(29)20-14-8-5-9-15-20/h4-18,24H,1-3H3