[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C27H29N3O5/c1-19-10-11-22(17-23(19)28-25(31)24-9-6-16-34-24)27(33)35-20(2)26(32)30-14-12-29(13-15-30)18-21-7-4-3-5-8-21/h3-11,16-17,20H,12-15,18H2,1-2H3,(H,28,31)