4-[(4aS,5R,9bS)-8-bromanyl-2-ethyl-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl]benzoic acid

Systemtic Name: 4-[(4aS,5R,9bS)-8-bromanyl-2-ethyl-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl]benzoic acid Openeye Name: 4-[(4aS,5R,9bS)-8-bromo-2-ethyl-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl]benzoic acid CAS Name: 4-[(4aS,5R,9bS)-8-bromo-2-ethyl-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl]benzoic acid IUPAC Name: 4-[(4aS,5R,9bS)-8-bromo-2-ethyl-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl]benzoic acid Traditional Name: 4-[(4aS,5R,9bS)-8-bromo-2-ethyl-7-methyl-1,3,4,4a,5,9b-hexahydroindeno[1,2-c]pyridin-5-yl]benzoic acid Formula: C22H24BrNO2 MolecularWeight: 414.33546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2C(C1)C3=CC(=C(C=C3C2C4=CC=C(C=C4)C(=O)O)C)Br

Isomeric SMILES

CCN1CC[C@@H]2[C@H](C1)C3=CC(=C(C=C3[C@H]2C4=CC=C(C=C4)C(=O)O)C)Br

InChI

InChI=1S/C22H24BrNO2/c1-3-24-9-8-16-19(12-24)17-11-20(23)13(2)10-18(17)21(16)14-4-6-15(7-5-14)22(25)26/h4-7,10-11,16,19,21H,3,8-9,12H2,1-2H3,(H,25,26)/t16-,19+,21+/m1/s1