tert-butyl N-(anthracen-9-ylmethyl)-N-[5-[5-(4-azanylbutylamino)pentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]carbamate

Systemtic Name: tert-butyl N-(anthracen-9-ylmethyl)-N-[5-[5-(4-azanylbutylamino)pentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]carbamate Openeye Name: tert-butyl N-[5-(4-aminobutylamino)pentyl]-N-[5-[9-anthrylmethyl(tert-butoxycarbonyl)amino]pentyl]carbamate CAS Name: N-[5-(4-aminobutylamino)pentyl]-N-[5-[9-anthracenylmethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(4-aminobutylamino)pentyl]-N-[5-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]carbamate Traditional Name: N-[5-(4-aminobutylamino)pentyl]-N-[5-[9-anthrylmethyl(tert-butoxycarbonyl)amino]pentyl]carbamic acid tert-butyl ester Formula: C39H60N4O4 MolecularWeight: 648.9181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCCNCCCCN)CCCCCN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCCNCCCCN)CCCCCN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC(C)(C)C

InChI

InChI=1S/C39H60N4O4/c1-38(2,3)46-36(44)42(26-16-7-14-24-41-25-15-13-23-40)27-17-8-18-28-43(37(45)47-39(4,5)6)30-35-33-21-11-9-19-31(33)29-32-20-10-12-22-34(32)35/h9-12,19-22,29,41H,7-8,13-18,23-28,30,40H2,1-6H3