ethanedioic acid; 4-[3-(4-naphthalen-2-ylpiperazin-1-yl)propoxy]-1H-indole

Systemtic Name: ethanedioic acid; 4-[3-(4-naphthalen-2-ylpiperazin-1-yl)propoxy]-1H-indole Openeye Name: 4-[3-[4-(2-naphthyl)piperazin-1-yl]propoxy]-1H-indole; oxalic acid CAS Name: 4-[3-[4-(2-naphthalenyl)-1-piperazinyl]propoxy]-1H-indole; oxalic acid IUPAC Name: 4-[3-(4-naphthalen-2-ylpiperazin-1-yl)propoxy]-1H-indole; oxalic acid Traditional Name: 4-[3-[4-(2-naphthyl)piperazino]propoxy]-1H-indole; oxalic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC3=C2C=CN3)C4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC3=C2C=CN3)C4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27N3O.C2H2O4/c1-2-6-21-19-22(10-9-20(21)5-1)28-16-14-27(15-17-28)13-4-18-29-25-8-3-7-24-23(25)11-12-26-24;3-1(4)2(5)6/h1-3,5-12,19,26H,4,13-18H2;(H,3,4)(H,5,6)