3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoic acid

Systemtic Name: 3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoic acid Openeye Name: 3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoic acid CAS Name: 3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid IUPAC Name: 3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoic acid Traditional Name: 3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=CC(=O)O)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C=CC(=O)O)C

InChI

InChI=1S/C12H17NO2/c1-4-7-13-9(2)8-11(10(13)3)5-6-12(14)15/h5-6,8H,4,7H2,1-3H3,(H,14,15)