O2-tert-butyl O3-ethyl (3S)-7-phenyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O2-tert-butyl O3-ethyl (3S)-7-phenyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O2-tert-butyl O3-ethyl (3S)-7-phenyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: (3S)-7-phenyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-tert-butyl ester O3-ethyl ester IUPAC Name: 2-O-tert-butyl 3-O-ethyl (3S)-7-phenyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: (3S)-7-phenyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-tert-butyl ester O3-ethyl ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO4/c1-5-27-21(25)20-14-18-12-11-17(16-9-7-6-8-10-16)13-19(18)15-24(20)22(26)28-23(2,3)4/h6-13,20H,5,14-15H2,1-4H3/t20-/m0/s1