3-(3-methoxy-4-propan-2-yloxy-phenyl)-1-(4-methylcyclohexyl)-4-phenethyl-piperazine-2,5-dione

Systemtic Name: 3-(3-methoxy-4-propan-2-yloxy-phenyl)-1-(4-methylcyclohexyl)-4-phenethyl-piperazine-2,5-dione Openeye Name: 3-(4-isopropoxy-3-methoxy-phenyl)-1-(4-methylcyclohexyl)-4-phenethyl-piperazine-2,5-dione CAS Name: 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylcyclohexyl)-4-phenethylpiperazine-2,5-dione IUPAC Name: 3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylcyclohexyl)-4-phenethylpiperazine-2,5-dione Traditional Name: 3-(4-isopropoxy-3-methoxy-phenyl)-1-(4-methylcyclohexyl)-4-phenethyl-piperazine-2,5-quinone Formula: C29H38N2O4 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC(=C(C=C3)OC(C)C)OC)CCC4=CC=CC=C4

Isomeric SMILES

CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC(=C(C=C3)OC(C)C)OC)CCC4=CC=CC=C4

InChI

InChI=1S/C29H38N2O4/c1-20(2)35-25-15-12-23(18-26(25)34-4)28-29(33)31(24-13-10-21(3)11-14-24)19-27(32)30(28)17-16-22-8-6-5-7-9-22/h5-9,12,15,18,20-21,24,28H,10-11,13-14,16-17,19H2,1-4H3