tert-butyl (3S)-3-[[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[2-oxo-2-(p-tolylmethylamino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[2-keto-2-[(4-methylbenzyl)amino]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=CC=C(C=C1)CNC(=O)CNC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CNC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N3O4/c1-17-9-11-18(12-10-17)14-26-22(29)15-27-23(30)21-13-19-7-5-6-8-20(19)16-28(21)24(31)32-25(2,3)4/h5-12,21H,13-16H2,1-4H3,(H,26,29)(H,27,30)/t21-/m0/s1