2-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-1H-indol-3-yl)-2-[4-(2-methylallyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(2-methylprop-2-enyl)-1-piperazinyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(2-methylprop-2-enyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(6-benzoxy-1H-indol-3-yl)-2-[4-(2-methylallyl)piperazino]acetic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(=C)CN1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H29N3O3/c1-18(2)16-27-10-12-28(13-11-27)24(25(29)30)22-15-26-23-14-20(8-9-21(22)23)31-17-19-6-4-3-5-7-19/h3-9,14-15,24,26H,1,10-13,16-17H2,2H3,(H,29,30)