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

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-2-[[2-(4-benzyl-1-piperidyl)acetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[2-(4-benzylpiperidino)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C21H32N2O3 MolecularWeight: 360.49038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CN1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C21H32N2O3/c1-4-16(2)20(21(25)26-3)22-19(24)15-23-12-10-18(11-13-23)14-17-8-6-5-7-9-17/h5-9,16,18,20H,4,10-15H2,1-3H3,(H,22,24)/t16-,20+/m0/s1