2-[3-chloranyl-4-(2,5-dihydropyrrol-1-yl)phenyl]ethanoic acid; methane

Systemtic Name: 2-[3-chloranyl-4-(2,5-dihydropyrrol-1-yl)phenyl]ethanoic acid; methane Openeye Name: 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]acetic acid; methane CAS Name: 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]acetic acid; methane IUPAC Name: 2-[3-chloro-4-(2,5-dihydropyrrol-1-yl)phenyl]acetic acid; methane Traditional Name: 2-[3-chloro-4-(3-pyrrolin-1-yl)phenyl]acetic acid; methane Formula: C13H16ClNO2 MolecularWeight: 253.72464

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Descriptors Computed from Structure

Canonical SMILES:

C.C1C=CCN1C2=C(C=C(C=C2)CC(=O)O)Cl

Isomeric SMILES

C.C1C=CCN1C2=C(C=C(C=C2)CC(=O)O)Cl

InChI

InChI=1S/C12H12ClNO2.CH4/c13-10-7-9(8-12(15)16)3-4-11(10)14-5-1-2-6-14;/h1-4,7H,5-6,8H2,(H,15,16);1H4