methyl 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[3-[4-(4-pyridyl)piperazin-1-yl]propanoylamino]phenyl]acetate CAS Name: 2-[4-[[1-oxo-3-(4-pyridin-4-yl-1-piperazinyl)propyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetate Traditional Name: 2-[4-[3-[4-(4-pyridyl)piperazino]propanoylamino]phenyl]acetic acid methyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H26N4O3/c1-28-21(27)16-17-2-4-18(5-3-17)23-20(26)8-11-24-12-14-25(15-13-24)19-6-9-22-10-7-19/h2-7,9-10H,8,11-16H2,1H3,(H,23,26)