1-methyl-5-(3-prop-2-enoxyphenyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile

Systemtic Name: 1-methyl-5-(3-prop-2-enoxyphenyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile Openeye Name: 5-(3-allyloxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile CAS Name: 1-methyl-5-(3-prop-2-enoxyphenyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile IUPAC Name: 1-methyl-5-(3-prop-2-enoxyphenyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile Traditional Name: 5-(3-allyloxyphenyl)-1-methyl-1,3,4,6-tetrahydro-2,5-benzoxazocine-8-carbonitrile Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2/c1-3-10-25-20-6-4-5-19(13-20)23-9-11-24-16(2)21-8-7-17(14-22)12-18(21)15-23/h3-8,12-13,16H,1,9-11,15H2,2H3