tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]methyl-(2-methylphenyl)amino]ethanoate

Systemtic Name: tert-butyl 2-[[1,4-bis(chloranyl)isoquinolin-7-yl]methyl-(2-methylphenyl)amino]ethanoate Openeye Name: tert-butyl 2-[N-[(1,4-dichloro-7-isoquinolyl)methyl]-2-methyl-anilino]acetate CAS Name: 2-[N-[(1,4-dichloro-7-isoquinolinyl)methyl]-2-methylanilino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[N-[(1,4-dichloroisoquinolin-7-yl)methyl]-2-methylanilino]acetate Traditional Name: 2-[N-[(1,4-dichloro-7-isoquinolyl)methyl]-2-methyl-anilino]acetic acid tert-butyl ester Formula: C23H24Cl2N2O2 MolecularWeight: 431.35486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC2=CC3=C(C=C2)C(=CN=C3Cl)Cl)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N(CC2=CC3=C(C=C2)C(=CN=C3Cl)Cl)CC(=O)OC(C)(C)C

InChI

InChI=1S/C23H24Cl2N2O2/c1-15-7-5-6-8-20(15)27(14-21(28)29-23(2,3)4)13-16-9-10-17-18(11-16)22(25)26-12-19(17)24/h5-12H,13-14H2,1-4H3