methyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC(CC(C)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC(CC(C)C)C(=O)OC)C

InChI

InChI=1S/C20H31N3O3/c1-14(2)13-17(19(24)26-5)21-20(25)23-11-9-22(10-12-23)18-8-6-7-15(3)16(18)4/h6-8,14,17H,9-13H2,1-5H3,(H,21,25)