ethanedioic acid; 1-(1H-indol-3-yl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: ethanedioic acid; 1-(1H-indol-3-yl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-(1H-indol-3-yl)-2-phenyl-2-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 1-(1H-indol-3-yl)-2-[4-(2-oxolanylmethyl)-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-(1H-indol-3-yl)-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-(1H-indol-3-yl)-2-phenyl-2-[4-(tetrahydrofurfuryl)piperazino]ethanone; oxalic acid Formula: C29H33N3O10 MolecularWeight: 583.58642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCN(CC2)C(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(OC1)CN2CCN(CC2)C(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H29N3O2.2C2H2O4/c29-25(22-17-26-23-11-5-4-10-21(22)23)24(19-7-2-1-3-8-19)28-14-12-27(13-15-28)18-20-9-6-16-30-20;2*3-1(4)2(5)6/h1-5,7-8,10-11,17,20,24,26H,6,9,12-16,18H2;2*(H,3,4)(H,5,6)