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

Systemtic Name: tert-butyl 5-(2-azanyl-5-chloranyl-phenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 5-(2-amino-5-chloro-phenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-(2-amino-5-chlorophenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2-amino-5-chlorophenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-(2-amino-5-chloro-phenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H23ClN2O3 MolecularWeight: 374.86122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2OC3=C(C=CC(=C3)Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2OC3=C(C=CC(=C3)Cl)N

InChI

InChI=1S/C20H23ClN2O3/c1-20(2,3)26-19(24)23-10-9-15-13(12-23)5-4-6-17(15)25-18-11-14(21)7-8-16(18)22/h4-8,11H,9-10,12,22H2,1-3H3