methyl (2R)-4-methyl-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-[4-(m-tolylmethyl)piperazin-1-yl]acetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]pentanoate Traditional Name: (2R)-4-methyl-2-[[2-[4-(3-methylbenzyl)piperazino]acetyl]amino]valeric acid methyl ester Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)N[C@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C21H33N3O3/c1-16(2)12-19(21(26)27-4)22-20(25)15-24-10-8-23(9-11-24)14-18-7-5-6-17(3)13-18/h5-7,13,16,19H,8-12,14-15H2,1-4H3,(H,22,25)/t19-/m1/s1