methyl 4-[[2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazinyl]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[4-(2-methyl-2-phenyl-propanoyl)piperazino]propanoylamino]methyl]benzoic acid methyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C(=O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)N2CCN(CC2)C(=O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O4/c1-19(23(30)27-18-20-10-12-21(13-11-20)24(31)33-4)28-14-16-29(17-15-28)25(32)26(2,3)22-8-6-5-7-9-22/h5-13,19H,14-18H2,1-4H3,(H,27,30)