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

Systemtic Name: tert-butyl N-(anthracen-9-ylmethyl)-N-[4-[4-(4-azanylbutylamino)butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate Openeye Name: tert-butyl N-[4-(4-aminobutylamino)butyl]-N-[4-[9-anthrylmethyl(tert-butoxycarbonyl)amino]butyl]carbamate CAS Name: N-[4-(4-aminobutylamino)butyl]-N-[4-[9-anthracenylmethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(4-aminobutylamino)butyl]-N-[4-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate Traditional Name: N-[4-(4-aminobutylamino)butyl]-N-[4-[9-anthrylmethyl(tert-butoxycarbonyl)amino]butyl]carbamic acid tert-butyl ester Formula: C37H56N4O4 MolecularWeight: 620.86494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCNCCCCN)CCCCN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCNCCCCN)CCCCN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC(C)(C)C

InChI

InChI=1S/C37H56N4O4/c1-36(2,3)44-34(42)40(24-14-13-23-39-22-12-11-21-38)25-15-16-26-41(35(43)45-37(4,5)6)28-33-31-19-9-7-17-29(31)27-30-18-8-10-20-32(30)33/h7-10,17-20,27,39H,11-16,21-26,28,38H2,1-6H3