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

Systemtic Name: 2-methoxyethyl 3-azanyl-4-[[3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]amino]benzoate Openeye Name: 2-methoxyethyl 3-amino-4-[3-[4-(2-amino-2-oxo-ethyl)piperazin-1-yl]anilino]benzoate CAS Name: 3-amino-4-[3-[4-(2-amino-2-oxoethyl)-1-piperazinyl]anilino]benzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-amino-4-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]anilino]benzoate Traditional Name: 3-amino-4-[3-[4-(2-amino-2-keto-ethyl)piperazino]anilino]benzoic acid 2-methoxyethyl ester Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O4/c1-30-11-12-31-22(29)16-5-6-20(19(23)13-16)25-17-3-2-4-18(14-17)27-9-7-26(8-10-27)15-21(24)28/h2-6,13-14,25H,7-12,15,23H2,1H3,(H2,24,28)