8-[[2-(2-acetamidoethanoylamino)-2-methyl-propanoyl]amino]octyl 9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 8-[[2-(2-acetamidoethanoylamino)-2-methyl-propanoyl]amino]octyl 9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 8-[[2-[(2-acetamidoacetyl)amino]-2-methyl-propanoyl]amino]octyl 9,10-dioxoanthracene-2-carboxylate CAS Name: 9,10-dioxo-2-anthracenecarboxylic acid 8-[[2-[(2-acetamido-1-oxoethyl)amino]-2-methyl-1-oxopropyl]amino]octyl ester IUPAC Name: 8-[[2-[(2-acetamidoacetyl)amino]-2-methylpropanoyl]amino]octyl 9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketoanthracene-2-carboxylic acid 8-[[2-[(2-acetamidoacetyl)amino]-2-methyl-propanoyl]amino]octyl ester Formula: C31H37N3O7 MolecularWeight: 563.64138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC(C)(C)C(=O)NCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)NCC(=O)NC(C)(C)C(=O)NCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C31H37N3O7/c1-20(35)33-19-26(36)34-31(2,3)30(40)32-16-10-6-4-5-7-11-17-41-29(39)21-14-15-24-25(18-21)28(38)23-13-9-8-12-22(23)27(24)37/h8-9,12-15,18H,4-7,10-11,16-17,19H2,1-3H3,(H,32,40)(H,33,35)(H,34,36)