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

Systemtic Name: ethyl 3-(3-methylbutanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(3-methylbutanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[(3-methyl-1-oxobutyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(3-methylbutanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(isovalerylamino)benzoic acid ethyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)CC(C)C

InChI

InChI=1S/C25H31N3O4/c1-4-32-25(31)20-10-11-22(21(17-20)26-23(29)16-18(2)3)27-12-14-28(15-13-27)24(30)19-8-6-5-7-9-19/h5-11,17-18H,4,12-16H2,1-3H3,(H,26,29)