3-(6-pyrrolidin-1-yl-1,3-benzoxazol-2-yl)benzoic acid

Systemtic Name: 3-(6-pyrrolidin-1-yl-1,3-benzoxazol-2-yl)benzoic acid Openeye Name: 3-(6-pyrrolidin-1-yl-1,3-benzoxazol-2-yl)benzoic acid CAS Name: 3-[6-(1-pyrrolidinyl)-1,3-benzoxazol-2-yl]benzoic acid IUPAC Name: 3-(6-pyrrolidin-1-yl-1,3-benzoxazol-2-yl)benzoic acid Traditional Name: 3-(6-pyrrolidino-1,3-benzoxazol-2-yl)benzoic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC3=C(C=C2)N=C(O3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC3=C(C=C2)N=C(O3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C18H16N2O3/c21-18(22)13-5-3-4-12(10-13)17-19-15-7-6-14(11-16(15)23-17)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,21,22)