[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[4-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[4-(4-ethylpiperazino)anilino]-2-keto-ethyl] ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC

InChI

InChI=1S/C23H29N3O3/c1-3-18-5-7-19(8-6-18)23(28)29-17-22(27)24-20-9-11-21(12-10-20)26-15-13-25(4-2)14-16-26/h5-12H,3-4,13-17H2,1-2H3,(H,24,27)