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

Systemtic Name: ethyl 3-(4-methylpentanoylamino)-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(4-methylpentanoylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[(4-methyl-1-oxopentyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-(4-methylpentanoylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(4-methylpentanoylamino)benzoic acid ethyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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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)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4/c1-4-33-26(32)21-11-12-23(22(18-21)27-24(30)13-10-19(2)3)28-14-16-29(17-15-28)25(31)20-8-6-5-7-9-20/h5-9,11-12,18-19H,4,10,13-17H2,1-3H3,(H,27,30)