3-[3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoyl]oxypropylamino]propyl anthracene-9-carboxylate

Systemtic Name: 3-[3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoyl]oxypropylamino]propyl anthracene-9-carboxylate Openeye Name: 3-[3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoyl]oxypropylamino]propyl anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid 3-[3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-1-oxohexoxy]propylamino]propyl ester IUPAC Name: 3-[3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexanoyl]oxypropylamino]propyl anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid 3-[3-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexanoyl]oxypropylamino]propyl ester Formula: C37H42N2O6 MolecularWeight: 610.73918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)OCCCNCCCOC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(CCC(=O)OCCCNCCCOC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C37H42N2O6/c1-26(2)37(25-38,29-15-16-32(42-3)33(24-29)43-4)18-17-34(40)44-21-9-19-39-20-10-22-45-36(41)35-30-13-7-5-11-27(30)23-28-12-6-8-14-31(28)35/h5-8,11-16,23-24,26,39H,9-10,17-22H2,1-4H3