propan-2-yl 6-(6-nitro-2,3-diphenyl-benzimidazol-5-yl)oxyhexanoate

Systemtic Name: propan-2-yl 6-(6-nitro-2,3-diphenyl-benzimidazol-5-yl)oxyhexanoate Openeye Name: isopropyl 6-(6-nitro-2,3-diphenyl-benzimidazol-5-yl)oxyhexanoate CAS Name: 6-[(6-nitro-2,3-diphenyl-5-benzimidazolyl)oxy]hexanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-(6-nitro-2,3-diphenylbenzimidazol-5-yl)oxyhexanoate Traditional Name: 6-(6-nitro-2,3-diphenyl-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=C(C=C2C(=C1)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CCCCCOC1=C(C=C2C(=C1)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

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