5-chloranyl-2-(3-oxidanylpropyl)-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-2-(3-oxidanylpropyl)-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-(3-hydroxypropyl)-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-(3-hydroxypropyl)-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-(3-hydroxypropyl)-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-(3-hydroxypropyl)-3-phenyl-isoindole-1-carboxylic acid Formula: C18H16ClNO3 MolecularWeight: 329.77754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C(N2CCCO)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C(N2CCCO)C(=O)O)Cl

InChI

InChI=1S/C18H16ClNO3/c19-13-7-8-14-15(11-13)16(12-5-2-1-3-6-12)20(9-4-10-21)17(14)18(22)23/h1-3,5-8,11,21H,4,9-10H2,(H,22,23)