2-[[2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromen-6-yl]carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromen-6-yl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[[3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromane-6-carbonyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[[3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydro-2H-1-benzopyran-6-yl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chroman-6-carbonyl]amino]butyric acid Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC2=C(C=C1)OC(C(C2)O)(C)CCC=C(C)C)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=CC2=C(C=C1)OC(C(C2)O)(C)CCC=C(C)C)O

InChI

InChI=1S/C21H29NO6/c1-12(2)6-5-9-21(4)17(24)11-15-10-14(7-8-16(15)28-21)19(25)22-18(13(3)23)20(26)27/h6-8,10,13,17-18,23-24H,5,9,11H2,1-4H3,(H,22,25)(H,26,27)