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

Systemtic Name: 8-(3-methylbutanoyl)-1-(4-methylphenyl)carbonyl-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid Openeye Name: 1-(4-methylbenzoyl)-8-(3-methylbutanoyl)-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid CAS Name: 8-(3-methyl-1-oxobutyl)-1-[(4-methylphenyl)-oxomethyl]-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid IUPAC Name: 1-(4-methylbenzoyl)-8-(3-methylbutanoyl)-4-oxa-1,8-diazaspiro[4.5]decane-2-carboxylic acid Traditional Name: 8-isovaleryl-1-p-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=C(C=C1)C(=O)N2C(COC23CCN(CC3)C(=O)CC(C)C)C(=O)O

Isomeric SMILES

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

InChI

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