(phenylmethyl) 2-[cyclobutylcarbonyl-[(2-methylphenyl)amino]amino]-2-piperazin-2-yl-ethanoate

Systemtic Name: (phenylmethyl) 2-[cyclobutylcarbonyl-[(2-methylphenyl)amino]amino]-2-piperazin-2-yl-ethanoate Openeye Name: benzyl 2-[cyclobutanecarbonyl-(2-methylanilino)amino]-2-piperazin-2-yl-acetate CAS Name: 2-[[cyclobutyl(oxo)methyl]-(2-methylanilino)amino]-2-(2-piperazinyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[cyclobutanecarbonyl-(2-methylanilino)amino]-2-piperazin-2-ylacetate Traditional Name: 2-[cyclobutanecarbonyl(o-toluidino)amino]-2-piperazin-2-yl-acetic acid benzyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NN(C(C2CNCCN2)C(=O)OCC3=CC=CC=C3)C(=O)C4CCC4

Isomeric SMILES

CC1=CC=CC=C1NN(C(C2CNCCN2)C(=O)OCC3=CC=CC=C3)C(=O)C4CCC4

InChI

InChI=1S/C25H32N4O3/c1-18-8-5-6-13-21(18)28-29(24(30)20-11-7-12-20)23(22-16-26-14-15-27-22)25(31)32-17-19-9-3-2-4-10-19/h2-6,8-10,13,20,22-23,26-28H,7,11-12,14-17H2,1H3