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

Systemtic Name: methyl 3-azanyl-2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]-2,6-dimethyl-phenyl]carbonylamino]propanoate Openeye Name: methyl 3-amino-2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]-2,6-dimethyl-benzoyl]amino]propanoate CAS Name: 3-amino-2-[[[4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]-2,6-dimethylphenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-amino-2-[[4-[(3-hydroxyphenyl)methylcarbamoyl]-2,6-dimethylbenzoyl]amino]propanoate Traditional Name: 3-amino-2-[[4-[(3-hydroxybenzyl)carbamoyl]-2,6-dimethyl-benzoyl]amino]propionic acid methyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)NC(CN)C(=O)OC)C)C(=O)NCC2=CC(=CC=C2)O

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)NC(CN)C(=O)OC)C)C(=O)NCC2=CC(=CC=C2)O

InChI

InChI=1S/C21H25N3O5/c1-12-7-15(19(26)23-11-14-5-4-6-16(25)9-14)8-13(2)18(12)20(27)24-17(10-22)21(28)29-3/h4-9,17,25H,10-11,22H2,1-3H3,(H,23,26)(H,24,27)