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

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

Systemtic Name:2-methoxyethyl 3-azanyl-4-[[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]amino]benzoate
Openeye Name:2-methoxyethyl 3-amino-4-[3-[4-(cyanomethyl)piperazin-1-yl]anilino]benzoate
CAS Name:3-amino-4-[3-[4-(cyanomethyl)-1-piperazinyl]anilino]benzoic acid 2-methoxyethyl ester
IUPAC Name:2-methoxyethyl 3-amino-4-[3-[4-(cyanomethyl)piperazin-1-yl]anilino]benzoate
Traditional Name:3-amino-4-[3-[4-(cyanomethyl)piperazino]anilino]benzoic acid 2-methoxyethyl ester
Formula: C22H27N5O3
MolecularWeight: 409.48148
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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC#N)N


Isomeric SMILES

COCCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC#N)N


InChI

InChI=1S/C22H27N5O3/c1-29-13-14-30-22(28)17-5-6-21(20(24)15-17)25-18-3-2-4-19(16-18)27-11-9-26(8-7-23)10-12-27/h2-6,15-16,25H,8-14,24H2,1H3


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