3-(1-adamantylmethyl)-2,7-bis(oxidanylidene)-4-phenylmethoxycarbonyl-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate

Systemtic Name: 3-(1-adamantylmethyl)-2,7-bis(oxidanylidene)-4-phenylmethoxycarbonyl-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Openeye Name: 3-(1-adamantylmethyl)-1-benzyl-4-benzyloxycarbonyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate CAS Name: 3-(1-adamantylmethyl)-2,7-dioxo-4-phenylmethoxycarbonyl-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate IUPAC Name: 3-(1-adamantylmethyl)-1-benzyl-2,7-dioxo-4-phenylmethoxycarbonyl-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Traditional Name: 3-(1-adamantylmethyl)-1-benzyl-4-carbobenzoxy-2,7-diketo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Formula: C38H39N2O6- MolecularWeight: 619.72606

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4C(=O)N(C5=CC=CC=C5C(=O)CC(N4C(=O)OCC6=CC=CC=C6)C(=O)[O-])CC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4C(=O)N(C5=CC=CC=C5C(=O)CC(N4C(=O)OCC6=CC=CC=C6)C(=O)[O-])CC7=CC=CC=C7

InChI

InChI=1S/C38H40N2O6/c41-34-18-32(36(43)44)40(37(45)46-24-26-11-5-2-6-12-26)33(22-38-19-27-15-28(20-38)17-29(16-27)21-38)35(42)39(23-25-9-3-1-4-10-25)31-14-8-7-13-30(31)34/h1-14,27-29,32-33H,15-24H2,(H,43,44)/p-1