[(2R)-1,4-bis[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-2-yl]methyl 2-ethylbutanoate

Systemtic Name: [(2R)-1,4-bis[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-2-yl]methyl 2-ethylbutanoate Openeye Name: [(2R)-1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [(2R)-1,4-bis[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-piperazinyl]methyl ester IUPAC Name: [(2R)-1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [(2R)-1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl ester Formula: C31H42N2O10 MolecularWeight: 602.67258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCC(CC)C(=O)OC[C@H]1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C31H42N2O10/c1-9-19(10-2)31(36)43-18-22-17-32(29(34)20-13-23(37-3)27(41-7)24(14-20)38-4)11-12-33(22)30(35)21-15-25(39-5)28(42-8)26(16-21)40-6/h13-16,19,22H,9-12,17-18H2,1-8H3/t22-/m1/s1