4-(3-cyanopropyl)-7-pyridin-3-yl-hept-6-ynoic acid

Systemtic Name: 4-(3-cyanopropyl)-7-pyridin-3-yl-hept-6-ynoic acid Openeye Name: 4-(3-cyanopropyl)-7-(3-pyridyl)hept-6-ynoic acid CAS Name: 4-(3-cyanopropyl)-7-(3-pyridinyl)-6-heptynoic acid IUPAC Name: 4-(3-cyanopropyl)-7-pyridin-3-ylhept-6-ynoic acid Traditional Name: 4-(3-cyanopropyl)-7-(3-pyridyl)hept-6-ynoic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C#CCC(CCCC#N)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C#CCC(CCCC#N)CCC(=O)O

InChI

InChI=1S/C16H18N2O2/c17-11-2-1-5-14(9-10-16(19)20)6-3-7-15-8-4-12-18-13-15/h4,8,12-14H,1-2,5-6,9-10H2,(H,19,20)