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

Systemtic Name: methyl 4-tert-butyl-3-[3-(4-butyl-2-methoxy-phenyl)octanoylamino]benzoate Openeye Name: methyl 4-tert-butyl-3-[3-(4-butyl-2-methoxy-phenyl)octanoylamino]benzoate CAS Name: 4-tert-butyl-3-[[3-(4-butyl-2-methoxyphenyl)-1-oxooctyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-tert-butyl-3-[3-(4-butyl-2-methoxyphenyl)octanoylamino]benzoate Traditional Name: 4-tert-butyl-3-[3-(4-butyl-2-methoxy-phenyl)octanoylamino]benzoic acid methyl ester Formula: C31H45NO4 MolecularWeight: 495.6933

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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)CCCC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(C)(C)C)C2=C(C=C(C=C2)CCCC)OC

InChI

InChI=1S/C31H45NO4/c1-8-10-12-14-23(25-17-15-22(13-11-9-2)19-28(25)35-6)21-29(33)32-27-20-24(30(34)36-7)16-18-26(27)31(3,4)5/h15-20,23H,8-14,21H2,1-7H3,(H,32,33)