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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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