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

Systemtic Name: 2-hydroxyethyl 3-azanyl-4-[[3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]amino]benzoate Openeye Name: 2-hydroxyethyl 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-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 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-hydroxyethyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCO)N

Isomeric SMILES

C1CN(CCN1CC(=O)N)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCO)N

InChI

InChI=1S/C21H27N5O4/c22-18-12-15(21(29)30-11-10-27)4-5-19(18)24-16-2-1-3-17(13-16)26-8-6-25(7-9-26)14-20(23)28/h1-5,12-13,24,27H,6-11,14,22H2,(H2,23,28)