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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C26H26N2O2/c1-17-21(15-27)24(25-22(28-17)13-26(2,3)14-23(25)29)19-9-11-20(12-10-19)30-16-18-7-5-4-6-8-18/h4-12,21,24H,13-14,16H2,1-3H3/t21?,24-/m1/s1