2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-[(E)-cinnamyl]piperazin-1-yl]acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-[4-[(E)-cinnamyl]piperazino]acetic acid Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CC=CC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)C/C=C/C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C26H29N3O5/c1-34-20-9-10-23-21(16-20)22(17-29(23)18-24(30)31)25(26(32)33)28-14-12-27(13-15-28)11-5-8-19-6-3-2-4-7-19/h2-10,16-17,25H,11-15,18H2,1H3,(H,30,31)(H,32,33)/b8-5+