4-[1-(3-cyanopropyl)indol-3-yl]butanoic acid

Systemtic Name: 4-[1-(3-cyanopropyl)indol-3-yl]butanoic acid Openeye Name: 4-[1-(3-cyanopropyl)indol-3-yl]butanoic acid CAS Name: 4-[1-(3-cyanopropyl)-3-indolyl]butanoic acid IUPAC Name: 4-[1-(3-cyanopropyl)indol-3-yl]butanoic acid Traditional Name: 4-[1-(3-cyanopropyl)indol-3-yl]butyric acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCC#N)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCC#N)CCCC(=O)O

InChI

InChI=1S/C16H18N2O2/c17-10-3-4-11-18-12-13(6-5-9-16(19)20)14-7-1-2-8-15(14)18/h1-2,7-8,12H,3-6,9,11H2,(H,19,20)