methyl 4-[[4-[[4-acetamido-3-(2-methylpropoxy)phenyl]carbonylamino]-3-butoxy-phenyl]carbonylamino]-3-phenylmethoxy-benzoate

Systemtic Name: methyl 4-[[4-[[4-acetamido-3-(2-methylpropoxy)phenyl]carbonylamino]-3-butoxy-phenyl]carbonylamino]-3-phenylmethoxy-benzoate Openeye Name: methyl 4-[[4-[(4-acetamido-3-isobutoxy-benzoyl)amino]-3-butoxy-benzoyl]amino]-3-benzyloxy-benzoate CAS Name: 4-[[[4-[[[4-acetamido-3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-3-butoxyphenyl]-oxomethyl]amino]-3-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[4-[[4-acetamido-3-(2-methylpropoxy)benzoyl]amino]-3-butoxybenzoyl]amino]-3-phenylmethoxybenzoate Traditional Name: 4-[[4-[(4-acetamido-3-isobutoxy-benzoyl)amino]-3-butoxy-benzoyl]amino]-3-benzoxy-benzoic acid methyl ester Formula: C39H43N3O8 MolecularWeight: 681.77402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)C(=O)OC)OCC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)NC(=O)C)OCC(C)C

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)C(=O)OC)OCC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)NC(=O)C)OCC(C)C

InChI

InChI=1S/C39H43N3O8/c1-6-7-19-48-34-20-28(14-17-32(34)41-38(45)29-13-16-31(40-26(4)43)35(21-29)49-23-25(2)3)37(44)42-33-18-15-30(39(46)47-5)22-36(33)50-24-27-11-9-8-10-12-27/h8-18,20-22,25H,6-7,19,23-24H2,1-5H3,(H,40,43)(H,41,45)(H,42,44)