(phenylmethyl) (3R,5S)-3-(cycloheptylmethyl)-4-ethanoyl-2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate

Systemtic Name: (phenylmethyl) (3R,5S)-3-(cycloheptylmethyl)-4-ethanoyl-2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Openeye Name: benzyl (3R,5S)-4-acetyl-1-benzyl-3-(cycloheptylmethyl)-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate CAS Name: (3R,5S)-4-acetyl-3-(cycloheptylmethyl)-2,7-dioxo-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,5S)-4-acetyl-1-benzyl-3-(cycloheptylmethyl)-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Traditional Name: (3R,5S)-4-acetyl-1-benzyl-3-(cycloheptylmethyl)-2,7-diketo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylic acid benzyl ester Formula: C36H40N2O5 MolecularWeight: 580.7132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC3CCCCCC3)CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)N1[C@@H](CC(=O)C2=CC=CC=C2N(C(=O)[C@H]1CC3CCCCCC3)CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C36H40N2O5/c1-26(39)38-32(22-27-14-6-2-3-7-15-27)35(41)37(24-28-16-8-4-9-17-28)31-21-13-12-20-30(31)34(40)23-33(38)36(42)43-25-29-18-10-5-11-19-29/h4-5,8-13,16-21,27,32-33H,2-3,6-7,14-15,22-25H2,1H3/t32-,33+/m1/s1