methyl 8-[4-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-8-oxidanylidene-octanoate

Systemtic Name: methyl 8-[4-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-8-oxidanylidene-octanoate Openeye Name: methyl 8-[4-[tert-butoxycarbonyl(p-tolylmethyl)amino]butylamino]-8-oxo-octanoate CAS Name: 8-[4-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butylamino]-8-oxooctanoic acid methyl ester IUPAC Name: methyl 8-[4-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-8-oxooctanoate Traditional Name: 8-[4-[tert-butoxycarbonyl-(4-methylbenzyl)amino]butylamino]-8-keto-caprylic acid methyl ester Formula: C26H42N2O5 MolecularWeight: 462.62208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCCCNC(=O)CCCCCCC(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCCCNC(=O)CCCCCCC(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H42N2O5/c1-21-14-16-22(17-15-21)20-28(25(31)33-26(2,3)4)19-11-10-18-27-23(29)12-8-6-7-9-13-24(30)32-5/h14-17H,6-13,18-20H2,1-5H3,(H,27,29)