tert-butyl (3S)-3-(naphthalen-1-ylcarbamoyl)-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-(naphthalen-1-ylcarbamoyl)-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-7-[2-(hydroxyamino)-2-oxo-ethoxy]-3-(1-naphthylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-3-[(1-naphthalenylamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-3-(naphthalen-1-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-7-[2-(hydroxyamino)-2-keto-ethoxy]-3-(1-naphthylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)NC3=CC=CC4=CC=CC=C43)C=CC(=C2)OCC(=O)NO

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C[C@H]1C(=O)NC3=CC=CC4=CC=CC=C43)C=CC(=C2)OCC(=O)NO

InChI

InChI=1S/C27H29N3O6/c1-27(2,3)36-26(33)30-15-19-13-20(35-16-24(31)29-34)12-11-18(19)14-23(30)25(32)28-22-10-6-8-17-7-4-5-9-21(17)22/h4-13,23,34H,14-16H2,1-3H3,(H,28,32)(H,29,31)/t23-/m0/s1