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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/c1-18(2)9-12-23(29)26-21-17-20(25(31)32-3)10-11-22(21)27-13-15-28(16-14-27)24(30)19-7-5-4-6-8-19/h4-8,10-11,17-18H,9,12-16H2,1-3H3,(H,26,29)