[(1S,2R,3R,4S)-4,7,7-trimethyl-3-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl] (Z)-undec-2-enoate

Systemtic Name: [(1S,2R,3R,4S)-4,7,7-trimethyl-3-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl] (Z)-undec-2-enoate Openeye Name: [(1S,2R,3R,4S)-4,7,7-trimethyl-3-(1-naphthyl)norbornan-2-yl] (Z)-undec-2-enoate CAS Name: (Z)-2-undecenoic acid [(1S,2R,3R,4S)-4,7,7-trimethyl-3-(1-naphthalenyl)-2-bicyclo[2.2.1]heptanyl] ester IUPAC Name: [(1S,2R,3R,4S)-4,7,7-trimethyl-3-naphthalen-1-yl-2-bicyclo[2.2.1]heptanyl] (Z)-undec-2-enoate Traditional Name: (Z)-undec-2-enoic acid [(1S,2R,3R,4S)-4,7,7-trimethyl-3-(1-naphthyl)norbornan-2-yl] ester Formula: C31H42O2 MolecularWeight: 446.66398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC(=O)OC1C2CCC(C1C3=CC=CC4=CC=CC=C43)(C2(C)C)C

Isomeric SMILES

CCCCCCCC/C=C\C(=O)O[C@@H]1[C@H]2CC[C@@]([C@@H]1C3=CC=CC4=CC=CC=C43)(C2(C)C)C

InChI

InChI=1S/C31H42O2/c1-5-6-7-8-9-10-11-12-20-27(32)33-29-26-21-22-31(4,30(26,2)3)28(29)25-19-15-17-23-16-13-14-18-24(23)25/h12-20,26,28-29H,5-11,21-22H2,1-4H3/b20-12-/t26-,28-,29-,31+/m1/s1