methyl (2R)-2-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[4-(2-methoxy-5-methyl-benzyl)piperazino]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O4/c1-16(2)12-19(22(27)29-5)23-21(26)15-25-10-8-24(9-11-25)14-18-13-17(3)6-7-20(18)28-4/h6-7,13,16,19H,8-12,14-15H2,1-5H3,(H,23,26)/t19-/m1/s1