4-[4-(hydroxymethyl)indol-1-yl]butanoate

Systemtic Name: 4-[4-(hydroxymethyl)indol-1-yl]butanoate Openeye Name: 4-[4-(hydroxymethyl)indol-1-yl]butanoate CAS Name: 4-[4-(hydroxymethyl)-1-indolyl]butanoate IUPAC Name: 4-[4-(hydroxymethyl)indol-1-yl]butanoate Traditional Name: 4-(4-methylolindol-1-yl)butyrate Formula: C13H14NO3- MolecularWeight: 232.25516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CN(C2=C1)CCCC(=O)[O-])CO

Isomeric SMILES

C1=CC(=C2C=CN(C2=C1)CCCC(=O)[O-])CO

InChI

InChI=1S/C13H15NO3/c15-9-10-3-1-4-12-11(10)6-8-14(12)7-2-5-13(16)17/h1,3-4,6,8,15H,2,5,7,9H2,(H,16,17)/p-1