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

Systemtic Name: methyl 3-[(4-butoxyphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-butoxybenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(4-butoxyphenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-butoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(4-butoxybenzoyl)amino]benzoic acid methyl ester Formula: C30H33N3O5 MolecularWeight: 515.60012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=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/C30H33N3O5/c1-3-4-20-38-25-13-10-22(11-14-25)28(34)31-26-21-24(30(36)37-2)12-15-27(26)32-16-18-33(19-17-32)29(35)23-8-6-5-7-9-23/h5-15,21H,3-4,16-20H2,1-2H3,(H,31,34)