[[3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]carbonylamino] 2-methyl-3-phenyl-propanoate

Systemtic Name: [[3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]carbonylamino] 2-methyl-3-phenyl-propanoate Openeye Name: [[3-[[4-(4-pyridyl)piperazin-1-yl]methyl]benzoyl]amino] 2-methyl-3-phenyl-propanoate CAS Name: 2-methyl-3-phenylpropanoic acid [[oxo-[3-[(4-pyridin-4-yl-1-piperazinyl)methyl]phenyl]methyl]amino] ester IUPAC Name: [[3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]benzoyl]amino] 2-methyl-3-phenylpropanoate Traditional Name: 2-methyl-3-phenyl-propionic acid [[3-[[4-(4-pyridyl)piperazino]methyl]benzoyl]amino] ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(=O)ONC(=O)C2=CC(=CC=C2)CN3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CC(CC1=CC=CC=C1)C(=O)ONC(=O)C2=CC(=CC=C2)CN3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C27H30N4O3/c1-21(18-22-6-3-2-4-7-22)27(33)34-29-26(32)24-9-5-8-23(19-24)20-30-14-16-31(17-15-30)25-10-12-28-13-11-25/h2-13,19,21H,14-18,20H2,1H3,(H,29,32)