11-(3,5-ditert-butylphenoxy)undecyl 2-[2-(anthracen-9-ylcarbonylamino)ethanoylamino]ethanoate

Systemtic Name: 11-(3,5-ditert-butylphenoxy)undecyl 2-[2-(anthracen-9-ylcarbonylamino)ethanoylamino]ethanoate Openeye Name: 11-(3,5-ditert-butylphenoxy)undecyl 2-[[2-(anthracene-9-carbonylamino)acetyl]amino]acetate CAS Name: 2-[[2-[[9-anthracenyl(oxo)methyl]amino]-1-oxoethyl]amino]acetic acid 11-(3,5-ditert-butylphenoxy)undecyl ester IUPAC Name: 11-(3,5-ditert-butylphenoxy)undecyl 2-[[2-(anthracene-9-carbonylamino)acetyl]amino]acetate Traditional Name: 2-[[2-(anthracene-9-carbonylamino)acetyl]amino]acetic acid 11-(3,5-ditert-butylphenoxy)undecyl ester Formula: C44H58N2O5 MolecularWeight: 694.94172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)OCCCCCCCCCCCOC(=O)CNC(=O)CNC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)OCCCCCCCCCCCOC(=O)CNC(=O)CNC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)C(C)(C)C

InChI

InChI=1S/C44H58N2O5/c1-43(2,3)34-27-35(44(4,5)6)29-36(28-34)50-24-18-12-10-8-7-9-11-13-19-25-51-40(48)31-45-39(47)30-46-42(49)41-37-22-16-14-20-32(37)26-33-21-15-17-23-38(33)41/h14-17,20-23,26-29H,7-13,18-19,24-25,30-31H2,1-6H3,(H,45,47)(H,46,49)