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

Systemtic Name: 1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methoxy-4-propoxy-phenyl)piperazine-2,5-dione Openeye Name: 1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methoxy-4-propoxy-phenyl)piperazine-2,5-dione CAS Name: 1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methoxy-4-propoxyphenyl)piperazine-2,5-dione IUPAC Name: 1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methoxy-4-propoxyphenyl)piperazine-2,5-dione Traditional Name: 1-cycloheptyl-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methoxy-4-propoxy-phenyl)piperazine-2,5-quinone Formula: C30H38N2O6 MolecularWeight: 522.63252

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3COC4=CC=CC=C4O3)C5CCCCCC5)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3COC4=CC=CC=C4O3)C5CCCCCC5)OC

InChI

InChI=1S/C30H38N2O6/c1-3-16-36-25-15-14-21(17-27(25)35-2)29-30(34)31(22-10-6-4-5-7-11-22)19-28(33)32(29)18-23-20-37-24-12-8-9-13-26(24)38-23/h8-9,12-15,17,22-23,29H,3-7,10-11,16,18-20H2,1-2H3