tert-butyl 3-[[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[2-(3,4-dimethylanilino)-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[2-(3,4-dimethylanilino)-2-keto-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/c1-16-10-11-20(12-17(16)2)27-22(29)14-26-23(30)21-13-18-8-6-7-9-19(18)15-28(21)24(31)32-25(3,4)5/h6-12,21H,13-15H2,1-5H3,(H,26,30)(H,27,29)