2-methoxyethyl 3-azanyl-4-[[3-[4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)piperazin-1-yl]phenyl]amino]benzoate

Systemtic Name: 2-methoxyethyl 3-azanyl-4-[[3-[4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)piperazin-1-yl]phenyl]amino]benzoate Openeye Name: 2-methoxyethyl 3-amino-4-[3-[4-(2-isopropoxy-2-oxo-ethyl)piperazin-1-yl]anilino]benzoate CAS Name: 3-amino-4-[3-[4-(2-oxo-2-propan-2-yloxyethyl)-1-piperazinyl]anilino]benzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-amino-4-[3-[4-(2-oxo-2-propan-2-yloxyethyl)piperazin-1-yl]anilino]benzoate Traditional Name: 3-amino-4-[3-[4-(2-isopropoxy-2-keto-ethyl)piperazino]anilino]benzoic acid 2-methoxyethyl ester Formula: C25H34N4O5 MolecularWeight: 470.56126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CN1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)N

Isomeric SMILES

CC(C)OC(=O)CN1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)N

InChI

InChI=1S/C25H34N4O5/c1-18(2)34-24(30)17-28-9-11-29(12-10-28)21-6-4-5-20(16-21)27-23-8-7-19(15-22(23)26)25(31)33-14-13-32-3/h4-8,15-16,18,27H,9-14,17,26H2,1-3H3