2-methoxyethyl 3-azanyl-4-[[3-[(4-ethyl-3,5-dimethyl-piperazin-1-yl)methyl]phenyl]amino]benzoate

Systemtic Name: 2-methoxyethyl 3-azanyl-4-[[3-[(4-ethyl-3,5-dimethyl-piperazin-1-yl)methyl]phenyl]amino]benzoate Openeye Name: 2-methoxyethyl 3-amino-4-[3-[(4-ethyl-3,5-dimethyl-piperazin-1-yl)methyl]anilino]benzoate CAS Name: 3-amino-4-[3-[(4-ethyl-3,5-dimethyl-1-piperazinyl)methyl]anilino]benzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-amino-4-[3-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]anilino]benzoate Traditional Name: 3-amino-4-[3-[(4-ethyl-3,5-dimethyl-piperazino)methyl]anilino]benzoic acid 2-methoxyethyl ester Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(CN(CC1C)CC2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)N)C

Isomeric SMILES

CCN1C(CN(CC1C)CC2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCOC)N)C

InChI

InChI=1S/C25H36N4O3/c1-5-29-18(2)15-28(16-19(29)3)17-20-7-6-8-22(13-20)27-24-10-9-21(14-23(24)26)25(30)32-12-11-31-4/h6-10,13-14,18-19,27H,5,11-12,15-17,26H2,1-4H3