O2-tert-butyl O1-methyl (1R)-6-[(4-methyl-2-phenyl-pyrimidin-5-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-[(4-methyl-2-phenyl-pyrimidin-5-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-[(4-methyl-2-phenyl-pyrimidin-5-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-[(4-methyl-2-phenyl-5-pyrimidinyl)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-methyl-2-phenylpyrimidin-5-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-[(4-methyl-2-phenyl-pyrimidin-5-yl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1COC2=CC3=C(C=C2)C(N(CC3)C(=O)OC(C)(C)C)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC=C1COC2=CC3=C(C=C2)[C@@H](N(CC3)C(=O)OC(C)(C)C)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5/c1-18-21(16-29-25(30-18)19-9-7-6-8-10-19)17-35-22-11-12-23-20(15-22)13-14-31(24(23)26(32)34-5)27(33)36-28(2,3)4/h6-12,15-16,24H,13-14,17H2,1-5H3/t24-/m1/s1