ethyl 6-[3-(3-nitrophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate

Systemtic Name: ethyl 6-[3-(3-nitrophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate Openeye Name: ethyl 6-[3-(3-nitrophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[3-(3-nitrophenyl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[3-(3-nitrophenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[3-(3-nitrophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid ethyl ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=CC2=C(C=C1)N=C(N2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCCCCOC1=CC2=C(C=C1)N=C(N2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O5/c1-2-34-26(31)14-7-4-8-17-35-23-15-16-24-25(19-23)29(21-12-9-13-22(18-21)30(32)33)27(28-24)20-10-5-3-6-11-20/h3,5-6,9-13,15-16,18-19H,2,4,7-8,14,17H2,1H3