tert-butyl 3-[[10-[[3-(2-methylprop-2-enoylamino)propylamino]methyl]anthracen-9-yl]methylamino]propanoate

Systemtic Name: tert-butyl 3-[[10-[[3-(2-methylprop-2-enoylamino)propylamino]methyl]anthracen-9-yl]methylamino]propanoate Openeye Name: tert-butyl 3-[[10-[[3-(2-methylprop-2-enoylamino)propylamino]methyl]-9-anthryl]methylamino]propanoate CAS Name: 3-[[10-[[3-[(2-methyl-1-oxoprop-2-enyl)amino]propylamino]methyl]-9-anthracenyl]methylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[10-[[3-(2-methylprop-2-enoylamino)propylamino]methyl]anthracen-9-yl]methylamino]propanoate Traditional Name: 3-[[10-[(3-methacrylamidopropylamino)methyl]-9-anthryl]methylamino]propionic acid tert-butyl ester Formula: C30H39N3O3 MolecularWeight: 489.64896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NCCCNCC1=C2C=CC=CC2=C(C3=CC=CC=C31)CNCCC(=O)OC(C)(C)C

Isomeric SMILES

CC(=C)C(=O)NCCCNCC1=C2C=CC=CC2=C(C3=CC=CC=C31)CNCCC(=O)OC(C)(C)C

InChI

InChI=1S/C30H39N3O3/c1-21(2)29(35)33-17-10-16-31-19-26-22-11-6-8-13-24(22)27(25-14-9-7-12-23(25)26)20-32-18-15-28(34)36-30(3,4)5/h6-9,11-14,31-32H,1,10,15-20H2,2-5H3,(H,33,35)