[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-[(4-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O4/c1-13-2-4-14(5-3-13)20(27)22-11-19(26)28-12-18-23-16-7-6-15(21)10-17(16)24(18)8-9-25/h2-7,10,25H,8-9,11-12H2,1H3,(H,22,27)