methyl (2S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]-3-phenyl-propionic acid methyl ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(CC2=CC=CC=C2)C(=O)OC)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CN[C@@H](CC2=CC=CC=C2)C(=O)OC)C1=O)CO

InChI

InChI=1S/C18H20N2O4/c1-12-17(22)15(14(11-21)9-19-12)10-20-16(18(23)24-2)8-13-6-4-3-5-7-13/h3-7,9-10,16,20-21H,8,11H2,1-2H3/t16-/m0/s1