methyl 3-phenyl-3-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-phenyl-3-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-phenyl-3-[[4-[4-(4-pyridyl)piperazin-1-yl]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-(4-pyridin-4-yl-1-piperazinyl)phenyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-3-[[4-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-phenyl-3-[[4-[4-(4-pyridyl)piperazino]benzoyl]amino]propionic acid methyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C26H28N4O3/c1-33-25(31)19-24(20-5-3-2-4-6-20)28-26(32)21-7-9-22(10-8-21)29-15-17-30(18-16-29)23-11-13-27-14-12-23/h2-14,24H,15-19H2,1H3,(H,28,32)