ethyl 6-chloranyl-4-(2-chlorophenyl)carbonyl-3-(2-oxidanylbutanoylamino)-2-(phenylmethyl)benzoate

Systemtic Name: ethyl 6-chloranyl-4-(2-chlorophenyl)carbonyl-3-(2-oxidanylbutanoylamino)-2-(phenylmethyl)benzoate Openeye Name: ethyl 2-benzyl-6-chloro-4-(2-chlorobenzoyl)-3-(2-hydroxybutanoylamino)benzoate CAS Name: 6-chloro-4-[(2-chlorophenyl)-oxomethyl]-3-[(2-hydroxy-1-oxobutyl)amino]-2-(phenylmethyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-6-chloro-4-(2-chlorobenzoyl)-3-(2-hydroxybutanoylamino)benzoate Traditional Name: 2-benzyl-6-chloro-4-(2-chlorobenzoyl)-3-(2-hydroxybutanoylamino)benzoic acid ethyl ester Formula: C27H25Cl2NO5 MolecularWeight: 514.3971

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(C=C1C(=O)C2=CC=CC=C2Cl)Cl)C(=O)OCC)CC3=CC=CC=C3)O

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(C=C1C(=O)C2=CC=CC=C2Cl)Cl)C(=O)OCC)CC3=CC=CC=C3)O

InChI

InChI=1S/C27H25Cl2NO5/c1-3-22(31)26(33)30-24-18(14-16-10-6-5-7-11-16)23(27(34)35-4-2)21(29)15-19(24)25(32)17-12-8-9-13-20(17)28/h5-13,15,22,31H,3-4,14H2,1-2H3,(H,30,33)