[6-acetyloxy-1,3-bis(cyclopropylmethyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-1,3-diazepan-5-yl] ethanoate

Systemtic Name: [6-acetyloxy-1,3-bis(cyclopropylmethyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-1,3-diazepan-5-yl] ethanoate Openeye Name: [6-acetoxy-4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-2-oxo-1,3-diazepan-5-yl] acetate CAS Name: acetic acid [6-acetyloxy-1,3-bis(cyclopropylmethyl)-2-oxo-4,7-bis(phenylmethyl)-1,3-diazepan-5-yl] ester IUPAC Name: [6-acetyloxy-4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-2-oxo-1,3-diazepan-5-yl] acetate Traditional Name: acetic acid [6-acetoxy-4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-2-keto-1,3-diazepan-5-yl] ester Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(N(C(=O)N(C(C1OC(=O)C)CC2=CC=CC=C2)CC3CC3)CC4CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1C(N(C(=O)N(C(C1OC(=O)C)CC2=CC=CC=C2)CC3CC3)CC4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H38N2O5/c1-21(34)37-29-27(17-23-9-5-3-6-10-23)32(19-25-13-14-25)31(36)33(20-26-15-16-26)28(30(29)38-22(2)35)18-24-11-7-4-8-12-24/h3-12,25-30H,13-20H2,1-2H3