methyl 3-(2-methylpropanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-(2-methylpropanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(2-methylpropanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[(2-methyl-1-oxopropyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(2-methylpropanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(isobutyrylamino)benzoic acid methyl ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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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(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4/c1-16(2)21(27)24-19-15-18(23(29)30-3)9-10-20(19)25-11-13-26(14-12-25)22(28)17-7-5-4-6-8-17/h4-10,15-16H,11-14H2,1-3H3,(H,24,27)