8-(3-methylbutanoyl)-1-(3-methylphenyl)carbonyl-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid

Systemtic Name: 8-(3-methylbutanoyl)-1-(3-methylphenyl)carbonyl-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid Openeye Name: 1-(3-methylbenzoyl)-8-(3-methylbutanoyl)-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid CAS Name: 8-(3-methyl-1-oxobutyl)-1-[(3-methylphenyl)-oxomethyl]-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid IUPAC Name: 1-(3-methylbenzoyl)-8-(3-methylbutanoyl)-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid Traditional Name: 8-isovaleryl-1-m-toluoyl-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C(COC23CCN(CC3)C(=O)CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C(COC23CCN(CC3)C(=O)CC(C)C)C(=O)O

InChI

InChI=1S/C21H28N2O5/c1-14(2)11-18(24)22-9-7-21(8-10-22)23(17(13-28-21)20(26)27)19(25)16-6-4-5-15(3)12-16/h4-6,12,14,17H,7-11,13H2,1-3H3,(H,26,27)