4-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]butyl (2S)-2-azanylpropanoate

Systemtic Name: 4-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]butyl (2S)-2-azanylpropanoate Openeye Name: 4-[(9,10-dioxo-1-anthryl)amino]butyl (2S)-2-aminopropanoate CAS Name: (2S)-2-aminopropanoic acid 4-[(9,10-dioxo-1-anthracenyl)amino]butyl ester IUPAC Name: 4-[(9,10-dioxoanthracen-1-yl)amino]butyl (2S)-2-aminopropanoate Traditional Name: (2S)-2-aminopropionic acid 4-[(9,10-diketo-1-anthryl)amino]butyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCCCNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

C[C@@H](C(=O)OCCCCNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C21H22N2O4/c1-13(22)21(26)27-12-5-4-11-23-17-10-6-9-16-18(17)20(25)15-8-3-2-7-14(15)19(16)24/h2-3,6-10,13,23H,4-5,11-12,22H2,1H3/t13-/m0/s1