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

Systemtic Name: tert-butyl 6,7-diethanoyl-1-[(4-pyridin-4-ylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6,7-diacetyl-1-[[4-(4-pyridyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6,7-diacetyl-1-[(4-pyridin-4-ylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6,7-diacetyl-1-[(4-pyridin-4-ylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6,7-diacetyl-1-[4-(4-pyridyl)benzyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C30H32N2O4 MolecularWeight: 484.58608

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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=CC=NC=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=CC=NC=C4

InChI

InChI=1S/C30H32N2O4/c1-19(33)25-17-24-12-15-32(29(35)36-30(3,4)5)28(27(24)18-26(25)20(2)34)16-21-6-8-22(9-7-21)23-10-13-31-14-11-23/h6-11,13-14,17-18,28H,12,15-16H2,1-5H3