2,7,7-trimethyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2,7,7-trimethyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(3-benzyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2,7,7-trimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2,7,7-trimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(3-benzoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H26N2O2/c1-17-21(15-27)24(25-22(28-17)13-26(2,3)14-23(25)29)19-10-7-11-20(12-19)30-16-18-8-5-4-6-9-18/h4-12,24,28H,13-14,16H2,1-3H3