2-[5-(1,3-benzodioxol-5-yl)penta-2,4-dienoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[5-(1,3-benzodioxol-5-yl)penta-2,4-dienoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[5-(1,3-benzodioxol-5-yl)penta-2,4-dienoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-1-oxopenta-2,4-dienyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[5-(1,3-benzodioxol-5-yl)penta-2,4-dienoylamino]-3-methylpentanoic acid Traditional Name: 2-[5-(1,3-benzodioxol-5-yl)penta-2,4-dienoylamino]-3-methyl-valeric acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C=CC=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C=CC=CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C18H21NO5/c1-3-12(2)17(18(21)22)19-16(20)7-5-4-6-13-8-9-14-15(10-13)24-11-23-14/h4-10,12,17H,3,11H2,1-2H3,(H,19,20)(H,21,22)