1-methyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)-2-oxidanyl-propoxy]indole-2-carboxylic acid

Systemtic Name: 1-methyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)-2-oxidanyl-propoxy]indole-2-carboxylic acid Openeye Name: 4-[2-hydroxy-3-[4-(2-naphthyl)-1-piperidyl]propoxy]-1-methyl-indole-2-carboxylic acid CAS Name: 4-[2-hydroxy-3-[4-(2-naphthalenyl)-1-piperidinyl]propoxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-methylindole-2-carboxylic acid Traditional Name: 4-[2-hydroxy-3-[4-(2-naphthyl)piperidino]propoxy]-1-methyl-indole-2-carboxylic acid Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C1C(=O)O)C(=CC=C2)OCC(CN3CCC(CC3)C4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

CN1C2=C(C=C1C(=O)O)C(=CC=C2)OCC(CN3CCC(CC3)C4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C28H30N2O4/c1-29-25-7-4-8-27(24(25)16-26(29)28(32)33)34-18-23(31)17-30-13-11-20(12-14-30)22-10-9-19-5-2-3-6-21(19)15-22/h2-10,15-16,20,23,31H,11-14,17-18H2,1H3,(H,32,33)