methyl 4-(4-methylpiperazin-1-yl)-3-(2-methylpropanoylamino)benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-(2-methylpropanoylamino)benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-(2-methylpropanoylamino)benzoate CAS Name: 3-[(2-methyl-1-oxopropyl)amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-(2-methylpropanoylamino)benzoate Traditional Name: 3-(isobutyrylamino)-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-12(2)16(21)18-14-11-13(17(22)23-4)5-6-15(14)20-9-7-19(3)8-10-20/h5-6,11-12H,7-10H2,1-4H3,(H,18,21)