[3-[(3R)-3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl]phenyl] cyclohexanecarboxylate

Systemtic Name: [3-[(3R)-3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl]phenyl] cyclohexanecarboxylate Openeye Name: [3-[(3R)-3-ethyl-1-methyl-2-oxo-azepan-3-yl]phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [3-[(3R)-3-ethyl-1-methyl-2-oxo-3-azepanyl]phenyl] ester IUPAC Name: [3-[(3R)-3-ethyl-1-methyl-2-oxoazepan-3-yl]phenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [3-[(3R)-3-ethyl-2-keto-1-methyl-azepan-3-yl]phenyl] ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC(=O)C3CCCCC3

Isomeric SMILES

CC[C@@]1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC(=O)C3CCCCC3

InChI

InChI=1S/C22H31NO3/c1-3-22(14-7-8-15-23(2)21(22)25)18-12-9-13-19(16-18)26-20(24)17-10-5-4-6-11-17/h9,12-13,16-17H,3-8,10-11,14-15H2,1-2H3/t22-/m1/s1