(4-butoxyphenyl)-[2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[2-(5-phenyl-1,3-benzoxazol-2-yl)-1-pyrrolidinyl]methanone IUPAC Name: (4-butoxyphenyl)-[2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidino]methanone Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCCC2C3=NC4=C(O3)C=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCCC2C3=NC4=C(O3)C=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N2O3/c1-2-3-18-32-23-14-11-21(12-15-23)28(31)30-17-7-10-25(30)27-29-24-19-22(13-16-26(24)33-27)20-8-5-4-6-9-20/h4-6,8-9,11-16,19,25H,2-3,7,10,17-18H2,1H3