2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-3-indolyl]-2-[4-(2-methoxyphenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-methoxyphenyl)piperazino]acetic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

InChI

InChI=1S/C23H25N3O5/c1-31-20-9-5-4-8-19(20)24-10-12-25(13-11-24)22(23(29)30)17-14-26(15-21(27)28)18-7-3-2-6-16(17)18/h2-9,14,22H,10-13,15H2,1H3,(H,27,28)(H,29,30)