1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-dione

Systemtic Name: 1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-dione Openeye Name: 1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-dione CAS Name: 1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-ethoxy-3-methoxyphenyl)piperazine-2,5-dione IUPAC Name: 1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-ethoxy-3-methoxyphenyl)piperazine-2,5-dione Traditional Name: 1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-quinone Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3COC4=CC=CC=C4O3)C5CCCCCC5)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3COC4=CC=CC=C4O3)C5CCCCCC5)OC

InChI

InChI=1S/C29H36N2O6/c1-3-35-24-15-14-20(16-26(24)34-2)28-29(33)30(21-10-6-4-5-7-11-21)18-27(32)31(28)17-22-19-36-23-12-8-9-13-25(23)37-22/h8-9,12-16,21-22,28H,3-7,10-11,17-19H2,1-2H3