3-[3-[(2-butylcyclopropyl)methylamino]phenyl]prop-2-ynoic acid

Systemtic Name: 3-[3-[(2-butylcyclopropyl)methylamino]phenyl]prop-2-ynoic acid Openeye Name: 3-[3-[(2-butylcyclopropyl)methylamino]phenyl]prop-2-ynoic acid CAS Name: 3-[3-[(2-butylcyclopropyl)methylamino]phenyl]-2-propynoic acid IUPAC Name: 3-[3-[(2-butylcyclopropyl)methylamino]phenyl]prop-2-ynoic acid Traditional Name: 3-[3-[(2-butylcyclopropyl)methylamino]phenyl]propiolic acid Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC1CNC2=CC=CC(=C2)C#CC(=O)O

Isomeric SMILES

CCCCC1CC1CNC2=CC=CC(=C2)C#CC(=O)O

InChI

InChI=1S/C17H21NO2/c1-2-3-6-14-11-15(14)12-18-16-7-4-5-13(10-16)8-9-17(19)20/h4-5,7,10,14-15,18H,2-3,6,11-12H2,1H3,(H,19,20)