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

Systemtic Name: methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-[(4-propoxyphenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-propoxybenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[oxo-(4-propoxyphenyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-propoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(4-propoxybenzoyl)amino]benzoic acid methyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O5/c1-3-19-37-24-12-9-21(10-13-24)27(33)30-25-20-23(29(35)36-2)11-14-26(25)31-15-17-32(18-16-31)28(34)22-7-5-4-6-8-22/h4-14,20H,3,15-19H2,1-2H3,(H,30,33)