tert-butyl 5-[(5-chloranyl-2,4-dimethoxy-phenyl)carbonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 5-[(5-chloranyl-2,4-dimethoxy-phenyl)carbonylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 5-[(5-chloro-2,4-dimethoxy-benzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-[[(5-chloro-2,4-dimethoxyphenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(5-chloro-2,4-dimethoxybenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-[(5-chloro-2,4-dimethoxy-benzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H27ClN2O5 MolecularWeight: 446.92388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C23H27ClN2O5/c1-23(2,3)31-22(28)26-10-9-15-14(13-26)7-6-8-18(15)25-21(27)16-11-17(24)20(30-5)12-19(16)29-4/h6-8,11-12H,9-10,13H2,1-5H3,(H,25,27)