4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-2-carboxylic acid

Systemtic Name: 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-2-carboxylic acid Openeye Name: 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-2-carboxylic acid CAS Name: 4-[(3,4,5-trimethoxyphenyl)methyl]-2-piperazinecarboxylic acid IUPAC Name: 4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-2-carboxylic acid Traditional Name: 4-(3,4,5-trimethoxybenzyl)piperazine-2-carboxylic acid Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCNC(C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCNC(C2)C(=O)O

InChI

InChI=1S/C15H22N2O5/c1-20-12-6-10(7-13(21-2)14(12)22-3)8-17-5-4-16-11(9-17)15(18)19/h6-7,11,16H,4-5,8-9H2,1-3H3,(H,18,19)