O2-tert-butyl O1-methyl (1R)-6-[(4-pyrazol-1-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-[(4-pyrazol-1-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-[(4-pyrazol-1-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-[[4-(1-pyrazolyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester IUPAC Name: 2-O-tert-butyl 1-O-methyl (1R)-6-[(4-pyrazol-1-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-(4-pyrazol-1-ylbenzyl)oxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)OC)C=CC(=C2)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C([C@@H]1C(=O)OC)C=CC(=C2)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C26H29N3O5/c1-26(2,3)34-25(31)28-15-12-19-16-21(10-11-22(19)23(28)24(30)32-4)33-17-18-6-8-20(9-7-18)29-14-5-13-27-29/h5-11,13-14,16,23H,12,15,17H2,1-4H3/t23-/m1/s1