[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] pentanoate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] pentanoate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-2-3-9-24(29)30-19-23(28)25-21-10-12-22(13-11-21)27-16-14-26(15-17-27)18-20-7-5-4-6-8-20/h4-8,10-13H,2-3,9,14-19H2,1H3,(H,25,28)