tert-butyl N-(anthracen-9-ylmethyl)-N-[5-(3-azanylpropylamino)pentyl]carbamate

Systemtic Name: tert-butyl N-(anthracen-9-ylmethyl)-N-[5-(3-azanylpropylamino)pentyl]carbamate Openeye Name: tert-butyl N-[5-(3-aminopropylamino)pentyl]-N-(9-anthrylmethyl)carbamate CAS Name: N-[5-(3-aminopropylamino)pentyl]-N-(9-anthracenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(3-aminopropylamino)pentyl]-N-(anthracen-9-ylmethyl)carbamate Traditional Name: N-[5-(3-aminopropylamino)pentyl]-N-(9-anthrylmethyl)carbamic acid tert-butyl ester Formula: C28H39N3O2 MolecularWeight: 449.62816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2/c1-28(2,3)33-27(32)31(19-10-4-9-17-30-18-11-16-29)21-26-24-14-7-5-12-22(24)20-23-13-6-8-15-25(23)26/h5-8,12-15,20,30H,4,9-11,16-19,21,29H2,1-3H3