methyl 4-[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-8-oxidanyl-7-oxidanylidene-octyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-8-oxidanyl-7-oxidanylidene-octyl]carbamoyl]benzoate Openeye Name: methyl 4-[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-8-hydroxy-7-oxo-octyl]carbamoyl]benzoate CAS Name: 4-[[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-8-hydroxy-7-oxooctyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-8-hydroxy-7-oxooctyl]carbamoyl]benzoate Traditional Name: 4-[[(1S)-1-(3H-benzo[e]benzimidazol-2-yl)-8-hydroxy-7-keto-octyl]carbamoyl]benzoic acid methyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(CCCCCC(=O)CO)C2=NC3=C(N2)C=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCCCCC(=O)CO)C2=NC3=C(N2)C=CC4=CC=CC=C43

InChI

InChI=1S/C28H29N3O5/c1-36-28(35)20-13-11-19(12-14-20)27(34)30-24(10-4-2-3-8-21(33)17-32)26-29-23-16-15-18-7-5-6-9-22(18)25(23)31-26/h5-7,9,11-16,24,32H,2-4,8,10,17H2,1H3,(H,29,31)(H,30,34)/t24-/m0/s1