2-[2-[4-(7-bromanyl-1H-indol-3-yl)piperidin-1-yl]ethoxy]-5-methyl-benzoic acid

Systemtic Name: 2-[2-[4-(7-bromanyl-1H-indol-3-yl)piperidin-1-yl]ethoxy]-5-methyl-benzoic acid Openeye Name: 2-[2-[4-(7-bromo-1H-indol-3-yl)-1-piperidyl]ethoxy]-5-methyl-benzoic acid CAS Name: 2-[2-[4-(7-bromo-1H-indol-3-yl)-1-piperidinyl]ethoxy]-5-methylbenzoic acid IUPAC Name: 2-[2-[4-(7-bromo-1H-indol-3-yl)piperidin-1-yl]ethoxy]-5-methylbenzoic acid Traditional Name: 2-[2-[4-(7-bromo-1H-indol-3-yl)piperidino]ethoxy]-5-methyl-benzoic acid Formula: C23H25BrN2O3 MolecularWeight: 457.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2CCC(CC2)C3=CNC4=C3C=CC=C4Br)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2CCC(CC2)C3=CNC4=C3C=CC=C4Br)C(=O)O

InChI

InChI=1S/C23H25BrN2O3/c1-15-5-6-21(18(13-15)23(27)28)29-12-11-26-9-7-16(8-10-26)19-14-25-22-17(19)3-2-4-20(22)24/h2-6,13-14,16,25H,7-12H2,1H3,(H,27,28)