[(E)-[(1S,2S,4R)-4,7,7-trimethyl-2-(oxan-2-ylmethylselanyl)-3-bicyclo[2.2.1]heptanylidene]amino] benzoate

Systemtic Name: [(E)-[(1S,2S,4R)-4,7,7-trimethyl-2-(oxan-2-ylmethylselanyl)-3-bicyclo[2.2.1]heptanylidene]amino] benzoate Openeye Name: [(E)-[(1R,3S,4S)-1,7,7-trimethyl-3-(tetrahydropyran-2-ylmethylselanyl)norbornan-2-ylidene]amino] benzoate CAS Name: benzoic acid [(E)-[(1S,2S,4R)-4,7,7-trimethyl-2-(2-oxanylmethylseleno)-3-bicyclo[2.2.1]heptanylidene]amino] ester IUPAC Name: [(E)-[(1S,2S,4R)-4,7,7-trimethyl-2-(oxan-2-ylmethylselanyl)-3-bicyclo[2.2.1]heptanylidene]amino] benzoate Traditional Name: benzoic acid [(E)-[(1R,3S,4S)-1,7,7-trimethyl-3-(tetrahydropyran-2-ylmethylseleno)norbornan-2-ylidene]amino] ester Formula: C23H31NO3Se MolecularWeight: 448.45714

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=NOC(=O)C3=CC=CC=C3)C2[Se]CC4CCCCO4)C)C

Isomeric SMILES

C[C@@]1\2CC[C@@H](C1(C)C)[C@@H](/C2=N/OC(=O)C3=CC=CC=C3)[Se]CC4CCCCO4

InChI

InChI=1S/C23H31NO3Se/c1-22(2)18-12-13-23(22,3)20(19(18)28-15-17-11-7-8-14-26-17)24-27-21(25)16-9-5-4-6-10-16/h4-6,9-10,17-19H,7-8,11-15H2,1-3H3/b24-20-/t17?,18-,19+,23+/m1/s1