5-(2-butan-2-yloxyphenyl)sulfanyl-3-(1-propylpiperidin-4-yl)-1H-indole; ethanedioic acid

Systemtic Name: 5-(2-butan-2-yloxyphenyl)sulfanyl-3-(1-propylpiperidin-4-yl)-1H-indole; ethanedioic acid Openeye Name: oxalic acid; 3-(1-propyl-4-piperidyl)-5-(2-sec-butoxyphenyl)sulfanyl-1H-indole CAS Name: 5-[(2-butan-2-yloxyphenyl)thio]-3-(1-propyl-4-piperidinyl)-1H-indole; oxalic acid IUPAC Name: 5-(2-butan-2-yloxyphenyl)sulfanyl-3-(1-propylpiperidin-4-yl)-1H-indole; oxalic acid Traditional Name: oxalic acid; 3-(1-propyl-4-piperidyl)-5-[(2-sec-butoxyphenyl)thio]-1H-indole Formula: C28H36N2O5S MolecularWeight: 512.66084

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4OC(C)CC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN1CCC(CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4OC(C)CC.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H34N2OS.C2H2O4/c1-4-14-28-15-12-20(13-16-28)23-18-27-24-11-10-21(17-22(23)24)30-26-9-7-6-8-25(26)29-19(3)5-2;3-1(4)2(5)6/h6-11,17-20,27H,4-5,12-16H2,1-3H3;(H,3,4)(H,5,6)