3-methoxy-4-[[1-methyl-5-(2-piperidin-4-ylethylcarbamoyl)indol-3-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[1-methyl-5-(2-piperidin-4-ylethylcarbamoyl)indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[1-methyl-5-[2-(4-piperidyl)ethylcarbamoyl]indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[1-methyl-5-[oxo-[2-(4-piperidinyl)ethylamino]methyl]-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[1-methyl-5-(2-piperidin-4-ylethylcarbamoyl)indol-3-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[1-methyl-5-[2-(4-piperidyl)ethylcarbamoyl]indol-3-yl]methyl]benzoic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)NCCC3CCNCC3)CC4=C(C=C(C=C4)C(=O)O)OC

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)NCCC3CCNCC3)CC4=C(C=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C26H31N3O4/c1-29-16-21(13-18-3-4-20(26(31)32)15-24(18)33-2)22-14-19(5-6-23(22)29)25(30)28-12-9-17-7-10-27-11-8-17/h3-6,14-17,27H,7-13H2,1-2H3,(H,28,30)(H,31,32)