ethyl (2S,3S)-3-[(4-methoxyphenyl)amino]-2-methyl-3-pyridazin-4-yl-propanoate

Systemtic Name: ethyl (2S,3S)-3-[(4-methoxyphenyl)amino]-2-methyl-3-pyridazin-4-yl-propanoate Openeye Name: ethyl (2S,3S)-3-(4-methoxyanilino)-2-methyl-3-pyridazin-4-yl-propanoate CAS Name: (2S,3S)-3-(4-methoxyanilino)-2-methyl-3-(4-pyridazinyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-(4-methoxyanilino)-2-methyl-3-pyridazin-4-ylpropanoate Traditional Name: (2S,3S)-2-methyl-3-(p-anisidino)-3-pyridazin-4-yl-propionic acid ethyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(C1=CN=NC=C1)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@@H](C)[C@@H](C1=CN=NC=C1)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H21N3O3/c1-4-23-17(21)12(2)16(13-9-10-18-19-11-13)20-14-5-7-15(22-3)8-6-14/h5-12,16,20H,4H2,1-3H3/t12-,16-/m0/s1