5-[2-[(2-methylpropan-2-yl)oxy]phenyl]sulfanyl-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole; propanedioic acid

Systemtic Name: 5-[2-[(2-methylpropan-2-yl)oxy]phenyl]sulfanyl-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole; propanedioic acid Openeye Name: 5-(2-tert-butoxyphenyl)sulfanyl-3-(1-isopropyl-4-piperidyl)-1H-indole; malonic acid CAS Name: 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]thio]-3-(1-propan-2-yl-4-piperidinyl)-1H-indole; propanedioic acid IUPAC Name: 5-[2-[(2-methylpropan-2-yl)oxy]phenyl]sulfanyl-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole; propanedioic acid Traditional Name: 5-[(2-tert-butoxyphenyl)thio]-3-(1-isopropyl-4-piperidyl)-1H-indole; malonic acid Formula: C29H38N2O5S MolecularWeight: 526.68742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4OC(C)(C)C.C(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1CCC(CC1)C2=CNC3=C2C=C(C=C3)SC4=CC=CC=C4OC(C)(C)C.C(C(=O)O)C(=O)O

InChI

InChI=1S/C26H34N2OS.C3H4O4/c1-18(2)28-14-12-19(13-15-28)22-17-27-23-11-10-20(16-21(22)23)30-25-9-7-6-8-24(25)29-26(3,4)5;4-2(5)1-3(6)7/h6-11,16-19,27H,12-15H2,1-5H3;1H2,(H,4,5)(H,6,7)