[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] anthracene-9-carboxylate

Systemtic Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] anthracene-9-carboxylate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C26H27NO3/c1-18(25(28)27-16-15-19-9-3-2-4-10-19)30-26(29)24-22-13-7-5-11-20(22)17-21-12-6-8-14-23(21)24/h5-9,11-14,17-18H,2-4,10,15-16H2,1H3,(H,27,28)