ditert-butyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioate

Systemtic Name: ditert-butyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioate Openeye Name: ditert-butyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioate CAS Name: 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)propanedioate Traditional Name: 2-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)malonic acid ditert-butyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1C2=CC=CC=C2CCN1C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1C2=CC=CC=C2CCN1C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H33NO4/c1-25(2,3)30-23(28)21(24(29)31-26(4,5)6)22-20-15-11-10-12-18(20)16-17-27(22)19-13-8-7-9-14-19/h7-15,21-22H,16-17H2,1-6H3