4-[(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-(2-methyl-6-prop-2-enyl-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-(2-methyl-6-prop-2-enyl-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-allyl-N-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-6-methyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(N-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-6-prop-2-enylanilino)-4-oxobutanoic acid IUPAC Name: 4-(N-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-2-methyl-6-prop-2-enylanilino)-4-oxobutanoic acid Traditional Name: 4-(2-allyl-N-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-6-methyl-anilino)-4-keto-butyric acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC=C)N(C(=O)CCC(=O)O)C(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)CC=C)N(C(=O)CCC(=O)O)C(C)(C)C(=O)O

InChI

InChI=1S/C18H23NO5/c1-5-7-13-9-6-8-12(2)16(13)19(18(3,4)17(23)24)14(20)10-11-15(21)22/h5-6,8-9H,1,7,10-11H2,2-4H3,(H,21,22)(H,23,24)