3-[5-methanoyl-2,4-dimethyl-1-(phenylmethyl)pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[5-methanoyl-2,4-dimethyl-1-(phenylmethyl)pyrrol-3-yl]propanoic acid Openeye Name: 3-(1-benzyl-5-formyl-2,4-dimethyl-pyrrol-3-yl)propanoic acid CAS Name: 3-[5-formyl-2,4-dimethyl-1-(phenylmethyl)-3-pyrrolyl]propanoic acid IUPAC Name: 3-(1-benzyl-5-formyl-2,4-dimethylpyrrol-3-yl)propanoic acid Traditional Name: 3-(1-benzyl-5-formyl-2,4-dimethyl-pyrrol-3-yl)propionic acid Formula: C17H19NO3 MolecularWeight: 285.33766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1CCC(=O)O)C)CC2=CC=CC=C2)C=O

Isomeric SMILES

CC1=C(N(C(=C1CCC(=O)O)C)CC2=CC=CC=C2)C=O

InChI

InChI=1S/C17H19NO3/c1-12-15(8-9-17(20)21)13(2)18(16(12)11-19)10-14-6-4-3-5-7-14/h3-7,11H,8-10H2,1-2H3,(H,20,21)