methyl (2R)-4-methyl-2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]ethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethoxy]ethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]amino]pentanoate Traditional Name: (2R)-2-[[2-[2-keto-2-(4-phenylpiperazino)ethoxy]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COCC(=O)N1CCN(CC1)C2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)COCC(=O)N1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C21H31N3O5/c1-16(2)13-18(21(27)28-3)22-19(25)14-29-15-20(26)24-11-9-23(10-12-24)17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3,(H,22,25)/t18-/m1/s1