4-[(2-prop-2-ynoxyphenyl)methylamino]benzoic acid

Systemtic Name: 4-[(2-prop-2-ynoxyphenyl)methylamino]benzoic acid Openeye Name: 4-[(2-prop-2-ynoxyphenyl)methylamino]benzoic acid CAS Name: 4-[(2-prop-2-ynoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(2-prop-2-ynoxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(2-propargyloxybenzyl)amino]benzoic acid Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C#CCOC1=CC=CC=C1CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H15NO3/c1-2-11-21-16-6-4-3-5-14(16)12-18-15-9-7-13(8-10-15)17(19)20/h1,3-10,18H,11-12H2,(H,19,20)