(4-butylcyclohexyl) 1-azanyl-4-[butyl(phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-butylcyclohexyl) 1-azanyl-4-[butyl(phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-butylcyclohexyl) 1-amino-4-(N-butylanilino)-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-amino-4-(N-butylanilino)-9,10-dioxo-2-anthracenecarboxylic acid (4-butylcyclohexyl) ester IUPAC Name: (4-butylcyclohexyl) 1-amino-4-(N-butylanilino)-9,10-dioxoanthracene-2-carboxylate Traditional Name: 1-amino-4-(N-butylanilino)-9,10-diketo-anthracene-2-carboxylic acid (4-butylcyclohexyl) ester Formula: C35H40N2O4 MolecularWeight: 552.7031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)N(CCCC)C5=CC=CC=C5

Isomeric SMILES

CCCCC1CCC(CC1)OC(=O)C2=CC(=C3C(=C2N)C(=O)C4=CC=CC=C4C3=O)N(CCCC)C5=CC=CC=C5

InChI

InChI=1S/C35H40N2O4/c1-3-5-12-23-17-19-25(20-18-23)41-35(40)28-22-29(37(21-6-4-2)24-13-8-7-9-14-24)30-31(32(28)36)34(39)27-16-11-10-15-26(27)33(30)38/h7-11,13-16,22-23,25H,3-6,12,17-21,36H2,1-2H3