2-[3-(3-methylbut-2-enoylamino)phenyl]heptanoic acid

Systemtic Name: 2-[3-(3-methylbut-2-enoylamino)phenyl]heptanoic acid Openeye Name: 2-[3-(3-methylbut-2-enoylamino)phenyl]heptanoic acid CAS Name: 2-[3-[(3-methyl-1-oxobut-2-enyl)amino]phenyl]heptanoic acid IUPAC Name: 2-[3-(3-methylbut-2-enoylamino)phenyl]heptanoic acid Traditional Name: 2-[3-(3-methylbut-2-enoylamino)phenyl]enanthic acid Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=CC=C1)NC(=O)C=C(C)C)C(=O)O

Isomeric SMILES

CCCCCC(C1=CC(=CC=C1)NC(=O)C=C(C)C)C(=O)O

InChI

InChI=1S/C18H25NO3/c1-4-5-6-10-16(18(21)22)14-8-7-9-15(12-14)19-17(20)11-13(2)3/h7-9,11-12,16H,4-6,10H2,1-3H3,(H,19,20)(H,21,22)