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

Systemtic Name: tert-butyl (3S)-3-[[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[2-(3-methoxyanilino)-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[2-(3-methoxyanilino)-2-oxoethyl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[2-(3-methoxyanilino)-2-oxoethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[2-keto-2-(m-anisidino)ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H29N3O5/c1-24(2,3)32-23(30)27-15-17-9-6-5-8-16(17)12-20(27)22(29)25-14-21(28)26-18-10-7-11-19(13-18)31-4/h5-11,13,20H,12,14-15H2,1-4H3,(H,25,29)(H,26,28)/t20-/m0/s1