[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methanone

Systemtic Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methanone Openeye Name: [4-(1,3-benzoxazol-2-yl)-1-piperidyl]-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone CAS Name: [4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone Traditional Name: [4-(1,3-benzoxazol-2-yl)piperidino]-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanone Formula: C22H23BrN2O4 MolecularWeight: 459.33302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C22H23BrN2O4/c1-3-28-20-16(23)12-15(13-19(20)27-2)22(26)25-10-8-14(9-11-25)21-24-17-6-4-5-7-18(17)29-21/h4-7,12-14H,3,8-11H2,1-2H3