3-(2-hydroxyethylamino)-4-[[3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]amino]benzoate

Systemtic Name: 3-(2-hydroxyethylamino)-4-[[3-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]amino]benzoate Openeye Name: 3-(2-hydroxyethylamino)-4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]benzoate CAS Name: 3-(2-hydroxyethylamino)-4-[3-[4-(2-hydroxyethyl)-1-piperazinyl]anilino]benzoate IUPAC Name: 3-(2-hydroxyethylamino)-4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]benzoate Traditional Name: 3-(2-hydroxyethylamino)-4-[3-[4-(2-hydroxyethyl)piperazino]anilino]benzoate Formula: C21H27N4O4- MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)[O-])NCCO

Isomeric SMILES

C1CN(CCN1CCO)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)[O-])NCCO

InChI

InChI=1S/C21H28N4O4/c26-12-6-22-20-14-16(21(28)29)4-5-19(20)23-17-2-1-3-18(15-17)25-9-7-24(8-10-25)11-13-27/h1-5,14-15,22-23,26-27H,6-13H2,(H,28,29)/p-1