3-(4-nitroimidazol-1-yl)-N-[4-(4-phenylmethoxyphenoxy)butyl]propanamide

Systemtic Name: 3-(4-nitroimidazol-1-yl)-N-[4-(4-phenylmethoxyphenoxy)butyl]propanamide Openeye Name: N-[4-(4-benzyloxyphenoxy)butyl]-3-(4-nitroimidazol-1-yl)propanamide CAS Name: 3-(4-nitro-1-imidazolyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]propanamide IUPAC Name: 3-(4-nitroimidazol-1-yl)-N-[4-(4-phenylmethoxyphenoxy)butyl]propanamide Traditional Name: N-[4-(4-benzoxyphenoxy)butyl]-3-(4-nitroimidazol-1-yl)propionamide Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCCNC(=O)CCN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCCNC(=O)CCN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O5/c28-23(12-14-26-16-22(25-18-26)27(29)30)24-13-4-5-15-31-20-8-10-21(11-9-20)32-17-19-6-2-1-3-7-19/h1-3,6-11,16,18H,4-5,12-15,17H2,(H,24,28)