4-[1-(cyclopropylmethyl)-6-fluoranyl-indol-3-yl]-2-ethoxy-3-piperidin-1-yl-benzoic acid

Systemtic Name: 4-[1-(cyclopropylmethyl)-6-fluoranyl-indol-3-yl]-2-ethoxy-3-piperidin-1-yl-benzoic acid Openeye Name: 4-[1-(cyclopropylmethyl)-6-fluoro-indol-3-yl]-2-ethoxy-3-(1-piperidyl)benzoic acid CAS Name: 4-[1-(cyclopropylmethyl)-6-fluoro-3-indolyl]-2-ethoxy-3-(1-piperidinyl)benzoic acid IUPAC Name: 4-[1-(cyclopropylmethyl)-6-fluoroindol-3-yl]-2-ethoxy-3-piperidin-1-ylbenzoic acid Traditional Name: 4-[1-(cyclopropylmethyl)-6-fluoro-indol-3-yl]-2-ethoxy-3-piperidino-benzoic acid Formula: C26H29FN2O3 MolecularWeight: 436.518463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1N2CCCCC2)C3=CN(C4=C3C=CC(=C4)F)CC5CC5)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1N2CCCCC2)C3=CN(C4=C3C=CC(=C4)F)CC5CC5)C(=O)O

InChI

InChI=1S/C26H29FN2O3/c1-2-32-25-21(26(30)31)11-10-20(24(25)28-12-4-3-5-13-28)22-16-29(15-17-6-7-17)23-14-18(27)8-9-19(22)23/h8-11,14,16-17H,2-7,12-13,15H2,1H3,(H,30,31)