2-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]benzoic acid

Systemtic Name: 2-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]benzoic acid Openeye Name: 2-[4-(3-ethynylanilino)quinazolin-6-yl]benzoic acid CAS Name: 2-[4-(3-ethynylanilino)-6-quinazolinyl]benzoic acid IUPAC Name: 2-[4-(3-ethynylanilino)quinazolin-6-yl]benzoic acid Traditional Name: 2-[4-(3-ethynylanilino)quinazolin-6-yl]benzoic acid Formula: C23H15N3O2 MolecularWeight: 365.3841

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H15N3O2/c1-2-15-6-5-7-17(12-15)26-22-20-13-16(10-11-21(20)24-14-25-22)18-8-3-4-9-19(18)23(27)28/h1,3-14H,(H,27,28)(H,24,25,26)