5-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-2-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 5-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)-2-pyrrolidin-1-yl-benzoic acid Openeye Name: 5-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-2-pyrrolidin-1-yl-benzoic acid CAS Name: 5-(3-formyl-2,5-dimethyl-1-pyrrolyl)-2-(1-pyrrolidinyl)benzoic acid IUPAC Name: 5-(3-formyl-2,5-dimethylpyrrol-1-yl)-2-pyrrolidin-1-ylbenzoic acid Traditional Name: 5-(3-formyl-2,5-dimethyl-pyrrol-1-yl)-2-pyrrolidino-benzoic acid Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCC3)C(=O)O)C)C=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCC3)C(=O)O)C)C=O

InChI

InChI=1S/C18H20N2O3/c1-12-9-14(11-21)13(2)20(12)15-5-6-17(16(10-15)18(22)23)19-7-3-4-8-19/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,23)