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

Systemtic Name: tert-butyl (3S)-3-[[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[2-(benzylamino)-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[oxo-[[2-oxo-2-[(phenylmethyl)amino]ethyl]amino]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[2-(benzylamino)-2-oxoethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[2-(benzylamino)-2-keto-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4/c1-24(2,3)31-23(30)27-16-19-12-8-7-11-18(19)13-20(27)22(29)26-15-21(28)25-14-17-9-5-4-6-10-17/h4-12,20H,13-16H2,1-3H3,(H,25,28)(H,26,29)/t20-/m0/s1