tert-butyl N-(anthracen-9-ylmethyl)-N-[3-[4-(3-azanylpropylamino)butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate

Systemtic Name: tert-butyl N-(anthracen-9-ylmethyl)-N-[3-[4-(3-azanylpropylamino)butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate Openeye Name: tert-butyl N-[4-(3-aminopropylamino)butyl]-N-[3-[9-anthrylmethyl(tert-butoxycarbonyl)amino]propyl]carbamate CAS Name: N-[4-(3-aminopropylamino)butyl]-N-[3-[9-anthracenylmethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(3-aminopropylamino)butyl]-N-[3-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate Traditional Name: N-[4-(3-aminopropylamino)butyl]-N-[3-[9-anthrylmethyl(tert-butoxycarbonyl)amino]propyl]carbamic acid tert-butyl ester Formula: C35H52N4O4 MolecularWeight: 592.81178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCNCCCN)CCCN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCNCCCN)CCCN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H52N4O4/c1-34(2,3)42-32(40)38(22-12-11-20-37-21-13-19-36)23-14-24-39(33(41)43-35(4,5)6)26-31-29-17-9-7-15-27(29)25-28-16-8-10-18-30(28)31/h7-10,15-18,25,37H,11-14,19-24,26,36H2,1-6H3