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

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[2-(4-benzylpiperazino)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CN1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O3/c1-4-16(2)19(20(25)26-3)21-18(24)15-23-12-10-22(11-13-23)14-17-8-6-5-7-9-17/h5-9,16,19H,4,10-15H2,1-3H3,(H,21,24)/t16-,19+/m0/s1