methyl 2-[decyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyl-amino]octanoate

Systemtic Name: methyl 2-[decyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyl-amino]octanoate Openeye Name: methyl 2-[[2-(tert-butoxycarbonylamino)benzoyl]-decyl-amino]octanoate CAS Name: 2-[decyl-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethyl]amino]octanoic acid methyl ester IUPAC Name: methyl 2-[decyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]octanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)benzoyl]-decyl-amino]caprylic acid methyl ester Formula: C31H52N2O5 MolecularWeight: 532.75498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(C(CCCCCC)C(=O)OC)C(=O)C1=CC=CC=C1NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCN(C(CCCCCC)C(=O)OC)C(=O)C1=CC=CC=C1NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H52N2O5/c1-7-9-11-13-14-15-16-20-24-33(27(29(35)37-6)23-17-12-10-8-2)28(34)25-21-18-19-22-26(25)32-30(36)38-31(3,4)5/h18-19,21-22,27H,7-17,20,23-24H2,1-6H3,(H,32,36)