tert-butyl 1-methyl-3-phenyl-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-methyl-3-phenyl-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-methyl-3-phenyl-1H-isoquinoline-2-carboxylate CAS Name: 1-methyl-3-phenyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-methyl-3-phenyl-1H-isoquinoline-2-carboxylate Traditional Name: 1-methyl-3-phenyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO2/c1-15-18-13-9-8-12-17(18)14-19(16-10-6-5-7-11-16)22(15)20(23)24-21(2,3)4/h5-15H,1-4H3