4-methyl-2-[2-(3-phenylpyrrol-1-yl)ethanoyl]pentanoic acid

Systemtic Name: 4-methyl-2-[2-(3-phenylpyrrol-1-yl)ethanoyl]pentanoic acid Openeye Name: 4-methyl-2-[2-(3-phenylpyrrol-1-yl)acetyl]pentanoic acid CAS Name: 4-methyl-2-[1-oxo-2-(3-phenyl-1-pyrrolyl)ethyl]pentanoic acid IUPAC Name: 4-methyl-2-[2-(3-phenylpyrrol-1-yl)acetyl]pentanoic acid Traditional Name: 4-methyl-2-[2-(3-phenylpyrrol-1-yl)acetyl]valeric acid Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CN1C=CC(=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)CN1C=CC(=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H21NO3/c1-13(2)10-16(18(21)22)17(20)12-19-9-8-15(11-19)14-6-4-3-5-7-14/h3-9,11,13,16H,10,12H2,1-2H3,(H,21,22)