3-[6-(4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]benzoic acid

Systemtic Name: 3-[6-(4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]benzoic acid Openeye Name: 3-[6-(4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]benzoic acid CAS Name: 3-[6-(4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]benzoic acid IUPAC Name: 3-[6-(4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]benzoic acid Traditional Name: 3-[6-(4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazol-2-yl]benzoic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC3=C(C=C2)N=C(O3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)C2=CC3=C(C=C2)N=C(O3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C20H21N3O3/c1-22-8-3-9-23(11-10-22)16-6-7-17-18(13-16)26-19(21-17)14-4-2-5-15(12-14)20(24)25/h2,4-7,12-13H,3,8-11H2,1H3,(H,24,25)