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

Systemtic Name: methyl 3-azanyl-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-phenyl]carbonylamino]propanoate Openeye Name: methyl 3-amino-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]-6-methyl-benzoyl]amino]propanoate CAS Name: 3-amino-2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]-6-methylphenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-amino-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]-6-methylbenzoyl]amino]propanoate Traditional Name: 3-amino-2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]-6-methyl-benzoyl]amino]propionic acid methyl ester Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)NCC2=CC(=CC=C2)O)Cl)C(=O)NC(CN)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)NCC2=CC(=CC=C2)O)Cl)C(=O)NC(CN)C(=O)OC

InChI

InChI=1S/C20H22ClN3O5/c1-11-6-13(18(26)23-10-12-4-3-5-14(25)7-12)8-15(21)17(11)19(27)24-16(9-22)20(28)29-2/h3-8,16,25H,9-10,22H2,1-2H3,(H,23,26)(H,24,27)