2-(1H-indol-3-ylmethyl)-3-methoxy-4-propyl-benzoic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-4-propyl-benzoic acid Openeye Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-4-propyl-benzoic acid CAS Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-4-propylbenzoic acid IUPAC Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-4-propylbenzoic acid Traditional Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-4-propyl-benzoic acid Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)C(=O)O)CC2=CNC3=CC=CC=C32)OC

Isomeric SMILES

CCCC1=C(C(=C(C=C1)C(=O)O)CC2=CNC3=CC=CC=C32)OC

InChI

InChI=1S/C20H21NO3/c1-3-6-13-9-10-16(20(22)23)17(19(13)24-2)11-14-12-21-18-8-5-4-7-15(14)18/h4-5,7-10,12,21H,3,6,11H2,1-2H3,(H,22,23)