3-(2,2-dimethylpropyl)-4-ethanoyl-2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid

Systemtic Name: 3-(2,2-dimethylpropyl)-4-ethanoyl-2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid Openeye Name: 4-acetyl-1-benzyl-3-(2,2-dimethylpropyl)-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid CAS Name: 4-acetyl-3-(2,2-dimethylpropyl)-2,7-dioxo-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid IUPAC Name: 4-acetyl-1-benzyl-3-(2,2-dimethylpropyl)-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid Traditional Name: 4-acetyl-1-benzyl-2,7-diketo-3-neopentyl-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC(C)(C)C)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC(C)(C)C)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H30N2O5/c1-17(29)28-21(25(32)33)14-23(30)19-12-8-9-13-20(19)27(16-18-10-6-5-7-11-18)24(31)22(28)15-26(2,3)4/h5-13,21-22H,14-16H2,1-4H3,(H,32,33)