[phenylcarbonyl-(phenylmethyl)amino] 2-methyl-3-(4-pyridin-4-ylpiperazin-1-yl)propanoate

Systemtic Name: [phenylcarbonyl-(phenylmethyl)amino] 2-methyl-3-(4-pyridin-4-ylpiperazin-1-yl)propanoate Openeye Name: [benzoyl(benzyl)amino] 2-methyl-3-[4-(4-pyridyl)piperazin-1-yl]propanoate CAS Name: 2-methyl-3-(4-pyridin-4-yl-1-piperazinyl)propanoic acid [benzoyl-(phenylmethyl)amino] ester IUPAC Name: [benzoyl(benzyl)amino] 2-methyl-3-(4-pyridin-4-ylpiperazin-1-yl)propanoate Traditional Name: 2-methyl-3-[4-(4-pyridyl)piperazino]propionic acid [benzoyl(benzyl)amino] ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C2=CC=NC=C2)C(=O)ON(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(CN1CCN(CC1)C2=CC=NC=C2)C(=O)ON(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

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