tert-butyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 5-(2-azanyl-5-chloranyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 5-(2-amino-5-chloro-benzoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-[(2-amino-5-chlorophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2-amino-5-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-(2-amino-5-chloro-benzoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2C1)C(=O)C3=C(C=CC(=C3)Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C=CC=C2C1)C(=O)C3=C(C=CC(=C3)Cl)N

InChI

InChI=1S/C21H23ClN2O3/c1-21(2,3)27-20(26)24-10-9-15-13(12-24)5-4-6-16(15)19(25)17-11-14(22)7-8-18(17)23/h4-8,11H,9-10,12,23H2,1-3H3