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

Systemtic Name: 2-hydroxyethyl 3-azanyl-4-[[3-[4-(diethylcarbamoyl)-2-methyl-piperazin-1-yl]phenyl]amino]benzoate Openeye Name: 2-hydroxyethyl 3-amino-4-[3-[4-(diethylcarbamoyl)-2-methyl-piperazin-1-yl]anilino]benzoate CAS Name: 3-amino-4-[3-[4-[diethylamino(oxo)methyl]-2-methyl-1-piperazinyl]anilino]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-amino-4-[3-[4-(diethylcarbamoyl)-2-methylpiperazin-1-yl]anilino]benzoate Traditional Name: 3-amino-4-[3-[4-(diethylcarbamoyl)-2-methyl-piperazino]anilino]benzoic acid 2-hydroxyethyl ester Formula: C25H35N5O4 MolecularWeight: 469.5765

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(C(C1)C)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCO)N

Isomeric SMILES

CCN(CC)C(=O)N1CCN(C(C1)C)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCCO)N

InChI

InChI=1S/C25H35N5O4/c1-4-28(5-2)25(33)29-11-12-30(18(3)17-29)21-8-6-7-20(16-21)27-23-10-9-19(15-22(23)26)24(32)34-14-13-31/h6-10,15-16,18,27,31H,4-5,11-14,17,26H2,1-3H3