3-(1-adamantylmethyl)-4-ethanoyl-1-[(3-methoxyphenyl)methyl]-2,7-bis(oxidanylidene)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid

Systemtic Name: 3-(1-adamantylmethyl)-4-ethanoyl-1-[(3-methoxyphenyl)methyl]-2,7-bis(oxidanylidene)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid Openeye Name: 4-acetyl-3-(1-adamantylmethyl)-1-[(3-methoxyphenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid CAS Name: 4-acetyl-3-(1-adamantylmethyl)-1-[(3-methoxyphenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid IUPAC Name: 4-acetyl-3-(1-adamantylmethyl)-1-[(3-methoxyphenyl)methyl]-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid Traditional Name: 4-acetyl-3-(1-adamantylmethyl)-2,7-diketo-1-m-anisyl-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid Formula: C33H38N2O6 MolecularWeight: 558.66462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC34CC5CC(C3)CC(C5)C4)CC6=CC(=CC=C6)OC)C(=O)O

Isomeric SMILES

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC34CC5CC(C3)CC(C5)C4)CC6=CC(=CC=C6)OC)C(=O)O

InChI

InChI=1S/C33H38N2O6/c1-20(36)35-28(32(39)40)14-30(37)26-8-3-4-9-27(26)34(19-21-6-5-7-25(13-21)41-2)31(38)29(35)18-33-15-22-10-23(16-33)12-24(11-22)17-33/h3-9,13,22-24,28-29H,10-12,14-19H2,1-2H3,(H,39,40)