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

Systemtic Name: propan-2-yl 6-[3-(3-nitrophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate Openeye Name: isopropyl 6-[3-(3-nitrophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[3-(3-nitrophenyl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[3-(3-nitrophenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[3-(3-nitrophenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoic acid isopropyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O5/c1-20(2)36-27(32)14-7-4-8-17-35-24-15-16-25-26(19-24)30(22-12-9-13-23(18-22)31(33)34)28(29-25)21-10-5-3-6-11-21/h3,5-6,9-13,15-16,18-20H,4,7-8,14,17H2,1-2H3