[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-pentanoate

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-pentanoate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC

InChI

InChI=1S/C26H35N3O3/c1-4-20(3)25(21-9-7-6-8-10-21)26(31)32-19-24(30)27-22-11-13-23(14-12-22)29-17-15-28(5-2)16-18-29/h6-14,20,25H,4-5,15-19H2,1-3H3,(H,27,30)