methyl 3-acetamido-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-acetamido-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-acetamido-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoate CAS Name: 3-acetamido-2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-acetamido-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]propanoate Traditional Name: 3-acetamido-2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]propionic acid methyl ester Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)O)Cl

Isomeric SMILES

CC(=O)NCC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC(=CC=C2)O)Cl

InChI

InChI=1S/C21H22ClN3O6/c1-12(26)23-11-18(21(30)31-2)25-20(29)16-7-6-14(9-17(16)22)19(28)24-10-13-4-3-5-15(27)8-13/h3-9,18,27H,10-11H2,1-2H3,(H,23,26)(H,24,28)(H,25,29)