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

Systemtic Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-yl]-2-(5-methyl-1H-indol-3-yl)acetic acid CAS Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]acetic acid IUPAC Name: 2-(5-methyl-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(E)-cinnamyl]piperazino]-2-(5-methyl-1H-indol-3-yl)acetic acid Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-18-9-10-22-20(16-18)21(17-25-22)23(24(28)29)27-14-12-26(13-15-27)11-5-8-19-6-3-2-4-7-19/h2-10,16-17,23,25H,11-15H2,1H3,(H,28,29)/b8-5+