methyl 3-[(4S)-8-chloranyl-6-(2-fluorophenyl)-2-(hydroxymethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate

Systemtic Name: methyl 3-[(4S)-8-chloranyl-6-(2-fluorophenyl)-2-(hydroxymethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate Openeye Name: methyl 3-[(4S)-8-chloro-6-(2-fluorophenyl)-2-(hydroxymethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate CAS Name: 3-[(4S)-8-chloro-6-(2-fluorophenyl)-2-(hydroxymethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(4S)-8-chloro-6-(2-fluorophenyl)-2-(hydroxymethyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate Traditional Name: 3-[(4S)-8-chloro-6-(2-fluorophenyl)-2-methylol-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propionic acid methyl ester Formula: C22H19ClFN3O3 MolecularWeight: 427.855963

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C2=NC(=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)CO

Isomeric SMILES

COC(=O)CC[C@H]1C2=NC(=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)CO

InChI

InChI=1S/C22H19ClFN3O3/c1-30-20(29)9-7-18-22-25-14(12-28)11-27(22)19-8-6-13(23)10-16(19)21(26-18)15-4-2-3-5-17(15)24/h2-6,8,10-11,18,28H,7,9,12H2,1H3/t18-/m0/s1