2-[1'-(2-adamantylcarbamoyl)-5-methoxy-spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanoic acid

Systemtic Name: 2-[1'-(2-adamantylcarbamoyl)-5-methoxy-spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanoic acid Openeye Name: 2-[1'-(2-adamantylcarbamoyl)-5-methoxy-spiro[indane-3,4'-piperidine]-1-yl]acetic acid CAS Name: 2-[1'-[(2-adamantylamino)-oxomethyl]-5-methoxy-1-spiro[1,2-dihydroindene-3,4'-piperidine]yl]acetic acid IUPAC Name: 2-[1'-(2-adamantylcarbamoyl)-5-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetic acid Traditional Name: 2-[1'-(2-adamantylcarbamoyl)-5-methoxy-spiro[indane-3,4'-piperidine]-1-yl]acetic acid Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(CC23CCN(CC3)C(=O)NC4C5CC6CC(C5)CC4C6)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(CC23CCN(CC3)C(=O)NC4C5CC6CC(C5)CC4C6)CC(=O)O

InChI

InChI=1S/C27H36N2O4/c1-33-21-2-3-22-20(13-24(30)31)15-27(23(22)14-21)4-6-29(7-5-27)26(32)28-25-18-9-16-8-17(11-18)12-19(25)10-16/h2-3,14,16-20,25H,4-13,15H2,1H3,(H,28,32)(H,30,31)