4-[5-(hydroxymethyl)indol-1-yl]butanoate

Systemtic Name: 4-[5-(hydroxymethyl)indol-1-yl]butanoate Openeye Name: 4-[5-(hydroxymethyl)indol-1-yl]butanoate CAS Name: 4-[5-(hydroxymethyl)-1-indolyl]butanoate IUPAC Name: 4-[5-(hydroxymethyl)indol-1-yl]butanoate Traditional Name: 4-(5-methylolindol-1-yl)butyrate Formula: C13H14NO3- MolecularWeight: 232.25516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CCCC(=O)[O-])C=C1CO

Isomeric SMILES

C1=CC2=C(C=CN2CCCC(=O)[O-])C=C1CO

InChI

InChI=1S/C13H15NO3/c15-9-10-3-4-12-11(8-10)5-7-14(12)6-1-2-13(16)17/h3-5,7-8,15H,1-2,6,9H2,(H,16,17)/p-1