methyl 2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-phenyl]carbonylamino]butanoate Openeye Name: methyl 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-benzoyl]amino]butanoate CAS Name: 2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]-6-methylphenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]-6-methylbenzoyl]amino]butanoate Traditional Name: 2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]-6-methyl-benzoyl]amino]butyric acid methyl ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)NC(=O)C1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=CC=C2)O)C

Isomeric SMILES

CCC(C(=O)OC)NC(=O)C1=C(C=C(C=C1Cl)C(=O)NCC2=CC(=CC=C2)O)C

InChI

InChI=1S/C21H23ClN2O5/c1-4-17(21(28)29-3)24-20(27)18-12(2)8-14(10-16(18)22)19(26)23-11-13-6-5-7-15(25)9-13/h5-10,17,25H,4,11H2,1-3H3,(H,23,26)(H,24,27)