1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-2-(phenylmethyl)-2,3-dihydroquinoline-3-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-2-(phenylmethyl)-2,3-dihydroquinoline-3-carboxylic acid Openeye Name: 2-benzyl-1-tert-butoxycarbonyl-4-oxo-2,3-dihydroquinoline-3-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-2-(phenylmethyl)-2,3-dihydroquinoline-3-carboxylic acid IUPAC Name: 2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-2,3-dihydroquinoline-3-carboxylic acid Traditional Name: 2-benzyl-1-tert-butoxycarbonyl-4-keto-2,3-dihydroquinoline-3-carboxylic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(C(=O)C2=CC=CC=C21)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C(C(C(=O)C2=CC=CC=C21)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H23NO5/c1-22(2,3)28-21(27)23-16-12-8-7-11-15(16)19(24)18(20(25)26)17(23)13-14-9-5-4-6-10-14/h4-12,17-18H,13H2,1-3H3,(H,25,26)