2-ethynyl-4-[1-[(phenylmethyl)amino]cyclopropyl]benzoic acid

Systemtic Name: 2-ethynyl-4-[1-[(phenylmethyl)amino]cyclopropyl]benzoic acid Openeye Name: 4-[1-(benzylamino)cyclopropyl]-2-ethynyl-benzoic acid CAS Name: 2-ethynyl-4-[1-[(phenylmethyl)amino]cyclopropyl]benzoic acid IUPAC Name: 4-[1-(benzylamino)cyclopropyl]-2-ethynylbenzoic acid Traditional Name: 4-[1-(benzylamino)cyclopropyl]-2-ethynyl-benzoic acid Formula: C19H17NO2 MolecularWeight: 291.34378

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC(=C1)C2(CC2)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C#CC1=C(C=CC(=C1)C2(CC2)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H17NO2/c1-2-15-12-16(8-9-17(15)18(21)22)19(10-11-19)20-13-14-6-4-3-5-7-14/h1,3-9,12,20H,10-11,13H2,(H,21,22)