[4-[3-(methylaminomethylamino)-3-oxidanylidene-propyl]phenyl] 10-methylanthracene-9-carboxylate

Systemtic Name: [4-[3-(methylaminomethylamino)-3-oxidanylidene-propyl]phenyl] 10-methylanthracene-9-carboxylate Openeye Name: [4-[3-(methylaminomethylamino)-3-oxo-propyl]phenyl] 10-methylanthracene-9-carboxylate CAS Name: 10-methyl-9-anthracenecarboxylic acid [4-[3-(methylaminomethylamino)-3-oxopropyl]phenyl] ester IUPAC Name: [4-[3-(methylaminomethylamino)-3-oxopropyl]phenyl] 10-methylanthracene-9-carboxylate Traditional Name: 10-methylanthracene-9-carboxylic acid [4-[3-keto-3-(methylaminomethylamino)propyl]phenyl] ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C(=O)OC4=CC=C(C=C4)CCC(=O)NCNC

Isomeric SMILES

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C(=O)OC4=CC=C(C=C4)CCC(=O)NCNC

InChI

InChI=1S/C27H26N2O3/c1-18-21-7-3-5-9-23(21)26(24-10-6-4-8-22(18)24)27(31)32-20-14-11-19(12-15-20)13-16-25(30)29-17-28-2/h3-12,14-15,28H,13,16-17H2,1-2H3,(H,29,30)