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

Systemtic Name: 2-hydroxyethyl 3-azanyl-4-[[3-[4-(2-methoxy-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]amino]benzoate Openeye Name: 2-hydroxyethyl 3-amino-4-[3-[4-(2-methoxy-2-oxo-ethyl)piperazin-1-yl]anilino]benzoate CAS Name: 3-amino-4-[3-[4-(2-methoxy-2-oxoethyl)-1-piperazinyl]anilino]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-amino-4-[3-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]anilino]benzoate Traditional Name: 3-amino-4-[3-[4-(2-keto-2-methoxy-ethyl)piperazino]anilino]benzoic acid 2-hydroxyethyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCO)N

Isomeric SMILES

COC(=O)CN1CCN(CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCO)N

InChI

InChI=1S/C22H28N4O5/c1-30-21(28)15-25-7-9-26(10-8-25)18-4-2-3-17(14-18)24-20-6-5-16(13-19(20)23)22(29)31-12-11-27/h2-6,13-14,24,27H,7-12,15,23H2,1H3