methyl 4-tert-butyl-3-[3-(2-methoxy-4-phenylmethoxy-phenyl)octanoylamino]benzoate

Systemtic Name: methyl 4-tert-butyl-3-[3-(2-methoxy-4-phenylmethoxy-phenyl)octanoylamino]benzoate Openeye Name: methyl 3-[3-(4-benzyloxy-2-methoxy-phenyl)octanoylamino]-4-tert-butyl-benzoate CAS Name: 4-tert-butyl-3-[[3-(2-methoxy-4-phenylmethoxyphenyl)-1-oxooctyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-tert-butyl-3-[3-(2-methoxy-4-phenylmethoxyphenyl)octanoylamino]benzoate Traditional Name: 3-[3-(4-benzoxy-2-methoxy-phenyl)octanoylamino]-4-tert-butyl-benzoic acid methyl ester Formula: C34H43NO5 MolecularWeight: 545.70892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(C)(C)C)C2=C(C=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(C)(C)C)C2=C(C=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C34H43NO5/c1-7-8-10-15-25(28-18-17-27(22-31(28)38-5)40-23-24-13-11-9-12-14-24)21-32(36)35-30-20-26(33(37)39-6)16-19-29(30)34(2,3)4/h9,11-14,16-20,22,25H,7-8,10,15,21,23H2,1-6H3,(H,35,36)