methyl (2S)-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]propionic acid methyl ester Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC(C)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)N[C@@H](C)C(=O)OC)C

InChI

InChI=1S/C17H25N3O3/c1-12-6-5-7-15(13(12)2)19-8-10-20(11-9-19)17(22)18-14(3)16(21)23-4/h5-7,14H,8-11H2,1-4H3,(H,18,22)/t14-/m0/s1