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

Systemtic Name: tert-butyl 3-[(5-chloranyl-2-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[(5-chloro-2-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[(5-chloro-2-methylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(5-chloro-2-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[(5-chloro-2-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C22H25ClN2O3/c1-14-9-10-17(23)12-18(14)24-20(26)19-11-15-7-5-6-8-16(15)13-25(19)21(27)28-22(2,3)4/h5-10,12,19H,11,13H2,1-4H3,(H,24,26)