methyl (2R,3S)-3-methyl-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[2-(4-phenylpiperazino)acetyl]amino]valeric acid methyl ester Formula: C19H29N3O3 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1CCN(CC1)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CN1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C19H29N3O3/c1-4-15(2)18(19(24)25-3)20-17(23)14-21-10-12-22(13-11-21)16-8-6-5-7-9-16/h5-9,15,18H,4,10-14H2,1-3H3,(H,20,23)/t15-,18+/m0/s1