1,3-benzodioxol-5-yl-[2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[2-[5-(o-tolyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[2-[5-(o-tolyl)-1,3-benzoxazol-2-yl]pyrrolidino]methanone Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4C(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H22N2O4/c1-16-5-2-3-6-19(16)17-8-10-22-20(13-17)27-25(32-22)21-7-4-12-28(21)26(29)18-9-11-23-24(14-18)31-15-30-23/h2-3,5-6,8-11,13-14,21H,4,7,12,15H2,1H3