3-ethyl-3-(3-methoxyphenyl)-1,6,6-trimethyl-azepane

Systemtic Name: 3-ethyl-3-(3-methoxyphenyl)-1,6,6-trimethyl-azepane Openeye Name: 3-ethyl-3-(3-methoxyphenyl)-1,6,6-trimethyl-azepane CAS Name: 3-ethyl-3-(3-methoxyphenyl)-1,6,6-trimethylazepane IUPAC Name: 3-ethyl-3-(3-methoxyphenyl)-1,6,6-trimethylazepane Traditional Name: 3-ethyl-3-(3-methoxyphenyl)-1,6,6-trimethyl-azepane Formula: C18H29NO MolecularWeight: 275.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CN(C1)C)(C)C)C2=CC(=CC=C2)OC

Isomeric SMILES

CCC1(CCC(CN(C1)C)(C)C)C2=CC(=CC=C2)OC

InChI

InChI=1S/C18H29NO/c1-6-18(15-8-7-9-16(12-15)20-5)11-10-17(2,3)13-19(4)14-18/h7-9,12H,6,10-11,13-14H2,1-5H3