2-methoxyethyl 3-azanyl-4-[[3-(3-ethoxy-3-oxidanylidene-1-piperazin-1-yl-propyl)phenyl]amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC=C1)NC2=C(C=C(C=C2)C(=O)OCCOC)N)N3CCNCC3

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC=C1)NC2=C(C=C(C=C2)C(=O)OCCOC)N)N3CCNCC3

InChI

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