4-phenylmethoxycarbonyl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-phenylmethoxycarbonyl-1-(3,4,5-trimethoxyphenyl)carbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylic acid CAS Name: 1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 4-phenylmethoxycarbonyl-1-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylic acid Formula: C23H26N2O8 MolecularWeight: 458.46114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O8/c1-30-18-11-16(12-19(31-2)20(18)32-3)21(26)25-10-9-24(13-17(25)22(27)28)23(29)33-14-15-7-5-4-6-8-15/h4-8,11-12,17H,9-10,13-14H2,1-3H3,(H,27,28)