3-[1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl]propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: 3-[1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl]propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: 3-(1-amino-9,10-dioxo-2-anthryl)propyl 2-(tert-butoxycarbonylamino)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid 3-(1-amino-9,10-dioxo-2-anthracenyl)propyl ester IUPAC Name: 3-(1-amino-9,10-dioxoanthracen-2-yl)propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)propionic acid 3-(1-amino-9,10-diketo-2-anthryl)propyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)OCCCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H28N2O6/c1-14(27-24(31)33-25(2,3)4)23(30)32-13-7-8-15-11-12-18-19(20(15)26)22(29)17-10-6-5-9-16(17)21(18)28/h5-6,9-12,14H,7-8,13,26H2,1-4H3,(H,27,31)