3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-benzoxazol-2-yl]benzoic acid

Systemtic Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-benzoxazol-2-yl]benzoic acid Openeye Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-benzoxazol-2-yl]benzoic acid CAS Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-benzoxazol-2-yl]benzoic acid IUPAC Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-benzoxazol-2-yl]benzoic acid Traditional Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-benzoxazol-2-yl]benzoic acid Formula: C23H18N2O3 MolecularWeight: 370.40062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=CC4=C(C=C3)N=C(O4)C5=CC(=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=CC4=C(C=C3)N=C(O4)C5=CC(=CC=C5)C(=O)O

InChI

InChI=1S/C23H18N2O3/c26-23(27)17-7-3-6-16(12-17)22-24-20-9-8-19(13-21(20)28-22)25-11-10-15-4-1-2-5-18(15)14-25/h1-9,12-13H,10-11,14H2,(H,26,27)