2-azanyl-6-undec-3-ynyl-benzoic acid

Systemtic Name: 2-azanyl-6-undec-3-ynyl-benzoic acid Openeye Name: 2-amino-6-undec-3-ynyl-benzoic acid CAS Name: 2-amino-6-undec-3-ynylbenzoic acid IUPAC Name: 2-amino-6-undec-3-ynylbenzoic acid Traditional Name: 2-amino-6-undec-3-ynyl-benzoic acid Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CCCC1=C(C(=CC=C1)N)C(=O)O

Isomeric SMILES

CCCCCCCC#CCCC1=C(C(=CC=C1)N)C(=O)O

InChI

InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(19)17(15)18(20)21/h11,13-14H,2-7,10,12,19H2,1H3,(H,20,21)