ethyl 4-[4-[(5-chloranyl-1,3-benzoxazol-2-yl)-methyl-amino]phenoxy]pentanoate

Systemtic Name: ethyl 4-[4-[(5-chloranyl-1,3-benzoxazol-2-yl)-methyl-amino]phenoxy]pentanoate Openeye Name: ethyl 4-[4-[(5-chloro-1,3-benzoxazol-2-yl)-methyl-amino]phenoxy]pentanoate CAS Name: 4-[4-[(5-chloro-1,3-benzoxazol-2-yl)-methylamino]phenoxy]pentanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(5-chloro-1,3-benzoxazol-2-yl)-methylamino]phenoxy]pentanoate Traditional Name: 4-[4-[(5-chloro-1,3-benzoxazol-2-yl)-methyl-amino]phenoxy]valeric acid ethyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C)OC1=CC=C(C=C1)N(C)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCOC(=O)CCC(C)OC1=CC=C(C=C1)N(C)C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-4-26-20(25)12-5-14(2)27-17-9-7-16(8-10-17)24(3)21-23-18-13-15(22)6-11-19(18)28-21/h6-11,13-14H,4-5,12H2,1-3H3