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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C2=CC=CC(=C2C)C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)N1CCN(CC1)C2=CC=CC(=C2C)C

InChI

InChI=1S/C20H31N3O3/c1-6-14(2)18(19(24)26-5)21-20(25)23-12-10-22(11-13-23)17-9-7-8-15(3)16(17)4/h7-9,14,18H,6,10-13H2,1-5H3,(H,21,25)