tert-butyl 6,7-diethanoyl-1-[(4-pyrimidin-5-ylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6,7-diethanoyl-1-[(4-pyrimidin-5-ylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6,7-diacetyl-1-[(4-pyrimidin-5-ylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6,7-diacetyl-1-[[4-(5-pyrimidinyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6,7-diacetyl-1-[(4-pyrimidin-5-ylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6,7-diacetyl-1-[4-(5-pyrimidyl)benzyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1C(=O)C)C(N(CC2)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)C4=CN=CN=C4

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1C(=O)C)C(N(CC2)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)C4=CN=CN=C4

InChI

InChI=1S/C29H31N3O4/c1-18(33)24-13-22-10-11-32(28(35)36-29(3,4)5)27(26(22)14-25(24)19(2)34)12-20-6-8-21(9-7-20)23-15-30-17-31-16-23/h6-9,13-17,27H,10-12H2,1-5H3