methyl 4-(4-ethylpiperazin-1-yl)-3-(propanoylamino)benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-(propanoylamino)benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-(propanoylamino)benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-(1-oxopropylamino)benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-(propanoylamino)benzoate Traditional Name: 4-(4-ethylpiperazino)-3-propionamido-benzoic acid methyl ester Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)CC

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)CC

InChI

InChI=1S/C17H25N3O3/c1-4-16(21)18-14-12-13(17(22)23-3)6-7-15(14)20-10-8-19(5-2)9-11-20/h6-7,12H,4-5,8-11H2,1-3H3,(H,18,21)