2-[5-chloranyl-5-(isoindol-2-ylmethyl)cyclohex-2-en-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-5-(isoindol-2-ylmethyl)cyclohex-2-en-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-5-(isoindol-2-ylmethyl)cyclohex-2-en-1-yl]acetic acid CAS Name: 2-[5-chloro-5-(2-isoindolylmethyl)-1-cyclohex-2-enyl]acetic acid IUPAC Name: 2-[5-chloro-5-(isoindol-2-ylmethyl)cyclohex-2-en-1-yl]acetic acid Traditional Name: 2-[5-chloro-5-(isoindol-2-ylmethyl)cyclohex-2-en-1-yl]acetic acid Formula: C17H18ClNO2 MolecularWeight: 303.78332

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(CC1(CN2C=C3C=CC=CC3=C2)Cl)CC(=O)O

Isomeric SMILES

C1C=CC(CC1(CN2C=C3C=CC=CC3=C2)Cl)CC(=O)O

InChI

InChI=1S/C17H18ClNO2/c18-17(7-3-4-13(9-17)8-16(20)21)12-19-10-14-5-1-2-6-15(14)11-19/h1-6,10-11,13H,7-9,12H2,(H,20,21)