methyl 3-(3-methylbutanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-(3-methylbutanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(3-methylbutanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[(3-methyl-1-oxobutyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(3-methylbutanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(isovalerylamino)benzoic acid methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4/c1-17(2)15-22(28)25-20-16-19(24(30)31-3)9-10-21(20)26-11-13-27(14-12-26)23(29)18-7-5-4-6-8-18/h4-10,16-17H,11-15H2,1-3H3,(H,25,28)