4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-phenyl]carbonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-phenyl]carbonylpiperazine-1-carboxylic acid Openeye Name: 4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-benzoyl]piperazine-1-carboxylic acid CAS Name: 4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-benzoyl]piperazine-1-carboxylic acid Formula: C21H22Cl2N2O5 MolecularWeight: 453.31578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)O)OCCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)O)OCCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O5/c1-29-18-5-3-15(20(26)24-7-9-25(10-8-24)21(27)28)12-19(18)30-11-6-14-2-4-16(22)13-17(14)23/h2-5,12-13H,6-11H2,1H3,(H,27,28)