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

Systemtic Name: methyl 8-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-8-oxidanylidene-octanoate Openeye Name: methyl 8-[4-[tert-butoxycarbonyl-[(4-dimethylaminophenyl)methyl]amino]butylamino]-8-oxo-octanoate CAS Name: 8-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butylamino]-8-oxooctanoic acid methyl ester IUPAC Name: methyl 8-[4-[(4-dimethylaminophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butylamino]-8-oxooctanoate Traditional Name: 8-[4-[tert-butoxycarbonyl-[4-(dimethylamino)benzyl]amino]butylamino]-8-keto-caprylic acid methyl ester Formula: C27H45N3O5 MolecularWeight: 491.6633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45N3O5/c1-27(2,3)35-26(33)30(21-22-15-17-23(18-16-22)29(4)5)20-12-11-19-28-24(31)13-9-7-8-10-14-25(32)34-6/h15-18H,7-14,19-21H2,1-6H3,(H,28,31)