3-(3-methoxyphenyl)-2,5,5-trimethyl-cyclohex-2-en-1-one; N-methyl-2-phenyl-ethanamine

Systemtic Name: 3-(3-methoxyphenyl)-2,5,5-trimethyl-cyclohex-2-en-1-one; N-methyl-2-phenyl-ethanamine Openeye Name: 3-(3-methoxyphenyl)-2,5,5-trimethyl-cyclohex-2-en-1-one; N-methyl-2-phenyl-ethanamine CAS Name: 3-(3-methoxyphenyl)-2,5,5-trimethyl-1-cyclohex-2-enone; N-methyl-2-phenylethanamine IUPAC Name: 3-(3-methoxyphenyl)-2,5,5-trimethylcyclohex-2-en-1-one; N-methyl-2-phenylethanamine Traditional Name: 3-(3-methoxyphenyl)-2,5,5-trimethyl-cyclohex-2-en-1-one; methyl(phenethyl)amine Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1=O)(C)C)C2=CC(=CC=C2)OC.CNCCC1=CC=CC=C1

Isomeric SMILES

CC1=C(CC(CC1=O)(C)C)C2=CC(=CC=C2)OC.CNCCC1=CC=CC=C1

InChI

InChI=1S/C16H20O2.C9H13N/c1-11-14(9-16(2,3)10-15(11)17)12-6-5-7-13(8-12)18-4;1-10-8-7-9-5-3-2-4-6-9/h5-8H,9-10H2,1-4H3;2-6,10H,7-8H2,1H3