methyl 3-(hexanoylamino)-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-(hexanoylamino)-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-(hexanoylamino)-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-(1-oxohexylamino)benzoic acid methyl ester IUPAC Name: methyl 3-(hexanoylamino)-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-(caproylamino)-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C19H29N3O3 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3/c1-4-5-6-7-18(23)20-16-14-15(19(24)25-3)8-9-17(16)22-12-10-21(2)11-13-22/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,23)