4-(9-azaspiro[5.5]undecan-9-yl)-2-[(2-methylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(9-azaspiro[5.5]undecan-9-yl)-2-[(2-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(9-azaspiro[5.5]undecan-9-yl)-2-(o-tolylmethyl)-4-oxo-butanoic acid CAS Name: 4-(9-azaspiro[5.5]undecan-9-yl)-2-[(2-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(9-azaspiro[5.5]undecan-9-yl)-2-[(2-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(9-azaspiro[5.5]undecan-9-yl)-4-keto-2-(2-methylbenzyl)butyric acid Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CC(=O)N2CCC3(CCCCC3)CC2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(CC(=O)N2CCC3(CCCCC3)CC2)C(=O)O

InChI

InChI=1S/C22H31NO3/c1-17-7-3-4-8-18(17)15-19(21(25)26)16-20(24)23-13-11-22(12-14-23)9-5-2-6-10-22/h3-4,7-8,19H,2,5-6,9-16H2,1H3,(H,25,26)