5-(3-hydroxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-9-carbonitrile

Systemtic Name: 5-(3-hydroxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-9-carbonitrile Openeye Name: 5-(3-hydroxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-9-carbonitrile CAS Name: 5-(3-hydroxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-9-carbonitrile IUPAC Name: 5-(3-hydroxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-9-carbonitrile Traditional Name: 5-(3-hydroxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-9-carbonitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN(CCO1)C3=CC(=CC=C3)O)C=CC(=C2)C#N

Isomeric SMILES

CC1C2=C(CN(CCO1)C3=CC(=CC=C3)O)C=CC(=C2)C#N

InChI

InChI=1S/C18H18N2O2/c1-13-18-9-14(11-19)5-6-15(18)12-20(7-8-22-13)16-3-2-4-17(21)10-16/h2-6,9-10,13,21H,7-8,12H2,1H3