2-[1,4-dimethyl-3-(4-oxidanylhepta-1,6-dien-4-yl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[1,4-dimethyl-3-(4-oxidanylhepta-1,6-dien-4-yl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3-(1-allyl-1-hydroxy-but-3-enyl)-1,4-dimethyl-pyrrol-2-yl]acetic acid CAS Name: 2-[3-(4-hydroxyhepta-1,6-dien-4-yl)-1,4-dimethyl-2-pyrrolyl]acetic acid IUPAC Name: 2-[3-(4-hydroxyhepta-1,6-dien-4-yl)-1,4-dimethylpyrrol-2-yl]acetic acid Traditional Name: 2-[3-(1-allyl-1-hydroxy-but-3-enyl)-1,4-dimethyl-pyrrol-2-yl]acetic acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C(CC=C)(CC=C)O)CC(=O)O)C

Isomeric SMILES

CC1=CN(C(=C1C(CC=C)(CC=C)O)CC(=O)O)C

InChI

InChI=1S/C15H21NO3/c1-5-7-15(19,8-6-2)14-11(3)10-16(4)12(14)9-13(17)18/h5-6,10,19H,1-2,7-9H2,3-4H3,(H,17,18)