4-[1-(cyclohexa-1,3-dien-1-ylmethyl)isoindol-2-yl]butanoic acid

Systemtic Name: 4-[1-(cyclohexa-1,3-dien-1-ylmethyl)isoindol-2-yl]butanoic acid Openeye Name: 4-[1-(cyclohexa-1,3-dien-1-ylmethyl)isoindol-2-yl]butanoic acid CAS Name: 4-[1-(1-cyclohexa-1,3-dienylmethyl)-2-isoindolyl]butanoic acid IUPAC Name: 4-[1-(cyclohexa-1,3-dien-1-ylmethyl)isoindol-2-yl]butanoic acid Traditional Name: 4-[1-(cyclohexa-1,3-dien-1-ylmethyl)isoindol-2-yl]butyric acid Formula: C19H21NO2 MolecularWeight: 295.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1)CC2=C3C=CC=CC3=CN2CCCC(=O)O

Isomeric SMILES

C1CC(=CC=C1)CC2=C3C=CC=CC3=CN2CCCC(=O)O

InChI

InChI=1S/C19H21NO2/c21-19(22)11-6-12-20-14-16-9-4-5-10-17(16)18(20)13-15-7-2-1-3-8-15/h1-2,4-5,7,9-10,14H,3,6,8,11-13H2,(H,21,22)