methyl 3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C24H20N4O5 MolecularWeight: 444.4394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O5/c1-33-24(30)17-12-16(13-18(14-17)28(31)32)23(29)27-21(11-15-7-3-2-4-8-15)22-25-19-9-5-6-10-20(19)26-22/h2-10,12-14,21H,11H2,1H3,(H,25,26)(H,27,29)/t21-/m0/s1