3-phenyl-2H-isoindole-1-carboxylic acid; propane

Systemtic Name: 3-phenyl-2H-isoindole-1-carboxylic acid; propane Openeye Name: 3-phenyl-2H-isoindole-1-carboxylic acid; propane CAS Name: 3-phenyl-2H-isoindole-1-carboxylic acid; propane IUPAC Name: 3-phenyl-2H-isoindole-1-carboxylic acid; propane Traditional Name: n-propane; 3-phenyl-2H-isoindole-1-carboxylic acid Formula: C18H19NO2 MolecularWeight: 281.34896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC.C1=CC=C(C=C1)C2=C3C=CC=CC3=C(N2)C(=O)O

Isomeric SMILES

CCC.C1=CC=C(C=C1)C2=C3C=CC=CC3=C(N2)C(=O)O

InChI

InChI=1S/C15H11NO2.C3H8/c17-15(18)14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10;1-3-2/h1-9,16H,(H,17,18);3H2,1-2H3