ethyl (2S)-2-[[(E)-2-[(6-methylpyridin-2-yl)carbamoyl]-3-oxidanylidene-but-1-enyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(E)-2-[(6-methylpyridin-2-yl)carbamoyl]-3-oxidanylidene-but-1-enyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[(E)-2-[(6-methyl-2-pyridyl)carbamoyl]-3-oxo-but-1-enyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(E)-2-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]-3-oxobut-1-enyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(E)-2-[(6-methylpyridin-2-yl)carbamoyl]-3-oxobut-1-enyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(E)-3-keto-2-[(6-methyl-2-pyridyl)carbamoyl]but-1-enyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC=C(C(=O)C)C(=O)NC2=CC=CC(=N2)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)N/C=C(\C(=O)C)/C(=O)NC2=CC=CC(=N2)C

InChI

InChI=1S/C22H25N3O4/c1-4-29-22(28)19(13-17-10-6-5-7-11-17)23-14-18(16(3)26)21(27)25-20-12-8-9-15(2)24-20/h5-12,14,19,23H,4,13H2,1-3H3,(H,24,25,27)/b18-14+/t19-/m0/s1