[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate

Systemtic Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate Openeye Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [2-[cyclohexyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)N(CC3=CC=C(C=C3)F)C4CCCCC4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)N(CC3=CC=C(C=C3)F)C4CCCCC4

InChI

InChI=1S/C25H27FN2O3/c1-27-16-22(21-9-5-6-10-23(21)27)25(30)31-17-24(29)28(20-7-3-2-4-8-20)15-18-11-13-19(26)14-12-18/h5-6,9-14,16,20H,2-4,7-8,15,17H2,1H3