methyl 4-methyl-3-[2-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[4-(piperidine-1-carbonyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[4-(piperidine-1-carbonyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[4-(piperidine-1-carbonyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C(=O)N3CCCCC3

InChI

InChI=1S/C21H30N4O4/c1-16-6-7-17(20(27)29-2)14-18(16)22-19(26)15-23-10-12-25(13-11-23)21(28)24-8-4-3-5-9-24/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,22,26)